HKDC1

Reference Set (130 Compounds)

Cc1cc2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2c2ccccc12 ZINC000008684424

ZINC000008684424 (search)

CC(=O)N[C@H]1C(=O)N(CCN2CCOCC2)c2ccc(C)cc21 ZINC000005426553

ZINC000005426553 (search)

O=C(O)CSc1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O ZINC000000645676

ZINC000000645676 (search)

O=C(O)CSc1cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc2c1O ZINC000000944521

ZINC000000944521 (search)

Cc1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1 ZINC000000944472

ZINC000000944472 (search)

CC(=O)N[C@@H]1C(=O)N(CCN2CCOCC2)c2ccc(Br)cc21 ZINC000020573173

ZINC000020573173 (search)

O=C(O)CCSc1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O ZINC000005516228

ZINC000005516228 (search)

CCc1ccc2c(c1)[C@@H](NC(C)=O)C(=O)N2CCN1CCOCC1 ZINC000006669087

ZINC000006669087 (search)

COc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2CCN1CCOCC1 ZINC000020573667

ZINC000020573667 (search)

CCOc1ccc2c(c1)[C@@H](NC(C)=O)C(=O)N2CCN1CCOCC1 ZINC000006758259

ZINC000006758259 (search)

O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1O ZINC000004149943

ZINC000004149943 (search)

O=S(=O)(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1ccc(Cl)cc1 ZINC000002685352

ZINC000002685352 (search)

Cc1cc(C)c(S(=O)(=O)Nc2cc(SCCC(=O)O)c(O)c3ccccc23)cc1C ZINC000008870728

ZINC000008870728 (search)

Cc1ccc(S(=O)(=O)Nc2cc(SCCC(=O)O)c(O)c3ccccc23)cc1 ZINC000005516233

ZINC000005516233 (search)

CC(=O)O[C@@H]1[C@]2(C[C@@H]3N4C(=O)[C@@]5(CO)SS[C@@]4(C[C@]31O)C(=O)N5C)O[C@@H](C)C(C)(C)C2=O ZINC000195491676

ZINC000195491676 (search)

CC(=NNC(=S)Nc1cccc(Cl)c1)c1ccccn1 ZINC000254013225

ZINC000254013225 (search)

O=C1C=C(N2CCOCC2)c2ccccc2C1=O ZINC000001707068

ZINC000001707068 (search)

O=C1C=C(N2CCCCC2)c2ccccc2C1=O ZINC000004610834

ZINC000004610834 (search)

COC1=CC(=O)c2c(ccc3ncnc(N)c23)C1=O ZINC000001616703

ZINC000001616703 (search)

O=C(O)c1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O ZINC000169296903

ZINC000169296903 (search)

CC(=NNC(=S)SCc1ccccc1)c1ccccn1 ZINC000257351594

ZINC000257351594 (search)

O=C(O)c1ccc(NC2=C/C(=N/S(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 ZINC000100432688

ZINC000100432688 (search)

Oc1ccc(/C=N/Nc2ncc(Br)cn2)c(O)c1 ZINC000004947038

ZINC000004947038 (search)

S=C(NN=C(c1ccccc1)c1ccccn1)N(Cc1ccccn1)Cc1ccccn1 ZINC000254015118

ZINC000254015118 (search)

Cc1ccc(S(=O)(=O)/N=C2/C=C(Sc3ncn[nH]3)C(=O)c3ccccc32)cc1 ZINC000100480724

ZINC000100480724 (search)

CC(=NNC(=S)N1CC2CCC(CC2)C1)c1nccs1 ZINC000263591232

ZINC000263591232 (search)

O=C1C=C(NCc2ccccc2)c2ccccc2C1=O ZINC000100496485

ZINC000100496485 (search)

Cc1nc2c(O)c3c(c(O)c2nc1C)[C@H]1C=C[C@H]3CC1 ZINC000102797841

ZINC000102797841 (search)

COCC(=O)O[C@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=O ZINC000005501328

ZINC000005501328 (search)

CCOC(=O)c1ccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)cc1 ZINC000006859351

ZINC000006859351 (search)

C[C@@H](NNC(=S)N1CCN(c2ccccn2)CC1)c1nccc2ccccc12 ZINC000001582545

ZINC000001582545 (search)

O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000000609234

ZINC000000609234 (search)

COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2cnccn2)cc1 ZINC000002245329

ZINC000002245329 (search)

CC(=NNc1nc2ccccc2o1)c1cc2ccccc2cn1 ZINC000254015161

ZINC000254015161 (search)

CC(=NNC(=S)Nc1cccc(C)c1)c1ccccn1 ZINC000261073516

ZINC000261073516 (search)

CCOC(=O)C1=C(c2ccc(OC)cc2)C(=O)c2ccccc2C1=O ZINC000000290988

ZINC000000290988 (search)

CC(C)c1nc2oc3c(NC[C@H]4CCCO4)ncnc3c2c2c1COC(C)(C)C2 ZINC000002365275

ZINC000002365275 (search)

CCc1ccc(S(=O)(=O)/N=C2/C=C(Sc3ncn[nH]3)C(=O)c3ccccc32)cc1 ZINC000100461551

ZINC000100461551 (search)

O=C1C=C(c2c(O)ccc3ccccc23)c2ccccc2C1=O ZINC000001674769

ZINC000001674769 (search)

COC1=CC(=O)C=C(OC)C1=O ZINC000000137119

ZINC000000137119 (search)

Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(F)cc3)c(-c3cccs3)nc21 ZINC000002334358

ZINC000002334358 (search)

$Cc1ccccc1NC1=C/C(=N\S(=O)(=O)c2ccc(C(=O)O)cc2)c2ccccc2C1=O ZINC000015880067$

ZINC000015880067 (search)

COC1=CC(=O)C(OC)=C(OC)C1=O ZINC000001676043

ZINC000001676043 (search)

COc1ccc(OC)c(N2C(=O)/C(=C/c3ccco3)C(=O)NC2=S)c1 ZINC000001288438

ZINC000001288438 (search)

CC(C)c1nc2oc3c(NCCO)ncnc3c2c2c1COC(C)(C)C2 ZINC000002359741

ZINC000002359741 (search)

CC(C)c1ccc(S(=O)(=O)/N=C2/C=C(Sc3ncn[nH]3)C(=O)c3ccccc32)cc1 ZINC000100566710

ZINC000100566710 (search)

$O=C(O)c1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccccc3F)C(=O)c3ccccc32)cc1 ZINC000001926319$

ZINC000001926319 (search)

COc1ccccc1NC(=S)NN=C(C)c1ccccn1 ZINC000254017867

ZINC000254017867 (search)

CCCC(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O ZINC000001714195

ZINC000001714195 (search)

O=C(NC1=CC(=O)c2ccccc2C1=O)c1ccccc1 ZINC000001698939

ZINC000001698939 (search)

O=C1C(SCCO)=C(SCCO)C(=O)c2ccccc21 ZINC000001615742

ZINC000001615742 (search)

O=c1c2ccccc2nc(/C=C/c2cccnc2)n1Cc1ccccc1 ZINC000004537641

ZINC000004537641 (search)

COC1=C(OC)C(=O)C(Sc2ccc3ccccc3c2)=CC1=O ZINC000001761163

ZINC000001761163 (search)

CNCc1ccccc1Sc1cc(O)ccc1O ZINC000000347811

ZINC000000347811 (search)

COC(=O)C[C@]1(C(=O)OC)CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 ZINC000008829107

ZINC000008829107 (search)

Cc1[nH]c2ccccc2c1C1=CC(=O)C=CC1=O ZINC000001676028

ZINC000001676028 (search)

Oc1ccc(O)c(Cc2nc3ccccc3[nH]2)c1 ZINC000000453217

ZINC000000453217 (search)

COC1=C(Br)C(=O)c2ncccc2C1=O ZINC000001674813

ZINC000001674813 (search)

COc1ccc(-c2cc(C(=O)NNC(=S)NC(=O)c3c(-c4ccccc4)noc3C)n[nH]2)cc1 ZINC000009463204

ZINC000009463204 (search)

Cc1cc(C)n2nc(SCc3nnc(SCc4ccccc4C)s3)nc2n1 ZINC000000680275

ZINC000000680275 (search)

CC(=O)Nc1ccc(NC2=C/C(=N/S(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 ZINC000100478483

ZINC000100478483 (search)

O=C1C=CC(=O)C(C2=C3C(=O)N(CCc4ccccc4)CC(=O)N3CCC2)=C1 ZINC000000653357

ZINC000000653357 (search)

COC(=O)[C@H]1CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 ZINC000000970167

ZINC000000970167 (search)

$COC(=O)c1ccccc1NC1=C/C(=N\S(=O)(=O)c2ccc(C(=O)O)cc2)c2ccccc2C1=O ZINC000015880064$

ZINC000015880064 (search)

O=C(O)c1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O ZINC000169335484

ZINC000169335484 (search)

$Cc1ccc(S(=O)(=O)/N=C2\C=C(Nc3cccc(C(=O)O)c3)C(=O)c3ccccc32)cc1 ZINC000000944503$

ZINC000000944503 (search)

O=c1c2ccccc2nc2n1CCC2 ZINC000000226366

ZINC000000226366 (search)

COC(=O)c1cc(C)nc2c1C(=O)C(=O)C=C2N1CCOCC1 ZINC000003056481

ZINC000003056481 (search)

O=C1C(Cl)=C(Oc2ccccc2)C(=O)c2ccccc21 ZINC000000161603

ZINC000000161603 (search)

Nc1c(Br)cc2c3c(cccc13)-c1ccccc1-2 ZINC000001574367

ZINC000001574367 (search)

Cc1cc(C)c(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1C ZINC000008683953

ZINC000008683953 (search)

$CCc1ccc(S(=O)(=O)/N=C2\C=C(Nc3cccc(C(=O)O)c3)C(=O)c3ccccc32)cc1 ZINC000000944513$

ZINC000000944513 (search)

O=C1C(Nc2ccccc2)=C/C(=N/S(=O)(=O)c2cccs2)c2ccccc21 ZINC000100478429

ZINC000100478429 (search)

O=C(NC1=C(N[C@@H]2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000025326362

ZINC000025326362 (search)

CC(C)c1nc2oc3c(=O)[nH]cnc3c2c2c1COC(C)(C)C2 ZINC000002340404

ZINC000002340404 (search)

O=C(NCCc1ccccc1)c1cnn2c(C(F)F)cc(C3CC3)nc12 ZINC000001069309

ZINC000001069309 (search)

COc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c(OC)c1 ZINC000004357779

ZINC000004357779 (search)

O=C(O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000000118919

ZINC000000118919 (search)

O=C(O)CSc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2c1O ZINC000006142956

ZINC000006142956 (search)

O=C(O)c1cc(N2N=C(C(F)(F)F)/C(=C/C=C/c3ccco3)C2=O)ccc1Cl ZINC000008445238

ZINC000008445238 (search)

O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000015913533

ZINC000015913533 (search)

Cc1ccc2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c(=O)[nH]c2c1 ZINC000013878726

ZINC000013878726 (search)

CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(C(=O)O)cc1 ZINC000012474196

ZINC000012474196 (search)

O=[N+]([O-])c1ccc(NN=Cc2ccc(O)cc2O)nc1 ZINC000254014298

ZINC000254014298 (search)

O=C1C(Nc2ccc(O)cc2)=C/C(=N/S(=O)(=O)c2cccs2)c2ccccc21 ZINC000100478511

ZINC000100478511 (search)

CCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccc(F)cc1 ZINC000002328613

ZINC000002328613 (search)

Cc1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3cc([N+](=O)[O-])ccc32)cc1C ZINC000002475859

ZINC000002475859 (search)

$CCc1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccc(C(=O)O)cc3)C(=O)c3ccccc32)cc1 ZINC000000944499$

ZINC000000944499 (search)

COC(=O)c1ccc(CCc2cc(O)c(Br)cc2O)cc1 ZINC000001649868

ZINC000001649868 (search)

Cc1onc(-c2ccccc2)c1C(=O)NNC(=S)NC(=O)c1ccc(Br)cc1 ZINC000002257126

ZINC000002257126 (search)

Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/Nc1nncc(-c2ccccc2)n1 ZINC000169325487

ZINC000169325487 (search)

Cc1ccc(SC2=C(N(C)C)C(=O)c3ccccc3C2=O)cc1 ZINC000001710905

ZINC000001710905 (search)

Cc1ccc(C(=O)c2c(C)oc3c2C(=O)C(=O)c2ccccc2-3)cc1 ZINC000004785624

ZINC000004785624 (search)

O=C(/C=C/c1cccs1)Nc1scc(-c2ccccc2)c1C(=O)O ZINC000000934495

ZINC000000934495 (search)

O=C1C(N2CCOCC2)=C(n2nnc3ccccc32)C(=O)c2ccccc21 ZINC000001282589

ZINC000001282589 (search)

CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)C1CCCCC1 ZINC000000431428

ZINC000000431428 (search)

O=C(C1=C(c2ccccc2)C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000000236231

ZINC000000236231 (search)

O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(c34)C2=O)n1-c1ccccc1)N1CCN(CCO)CC1 ZINC000038154860

ZINC000038154860 (search)

COc1ccc2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)[nH]c2c1 ZINC000011726463

ZINC000011726463 (search)

CCOP(=O)(OCC)[C@@]1(NS(=O)(=O)c2ccccc2)C=C(Br)C(=O)c2ccccc21 ZINC000002274961

ZINC000002274961 (search)

O=c1[nH]c2ccccc2n2c(-c3ccccc3)nnc12 ZINC000008581877

ZINC000008581877 (search)

CCOC(=O)C1=C(Cc2ccc(OC)cc2)C(=O)c2ccccc2C1=O ZINC000100380071

ZINC000100380071 (search)

O=S(=O)(c1ccc(NC(=S)NN=C(Cc2ccccc2)Cc2ccccc2)cc1)N1CCOCC1 ZINC000013136849

ZINC000013136849 (search)

O=C(O)c1ccc2ncsc2c1 ZINC000000158619

ZINC000000158619 (search)

CCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccc(F)cc1 ZINC000002331709

ZINC000002331709 (search)

$CC(=O)Nc1ccc(C2=NN/C(=N\c3ccc(S(=O)(=O)N4CCOCC4)cc3)SC2)cc1 ZINC000009490919$

ZINC000009490919 (search)

O=C1C(Cl)=C(NCCc2ccccc2)C(=O)c2ccccc21 ZINC000100241959

ZINC000100241959 (search)

COc1ccc(N2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)cc1 ZINC000000970181

ZINC000000970181 (search)

CC(=NNC(=S)N1CCN(C2CCCCCC2)CC1)c1ccccn1 ZINC000254047424

ZINC000254047424 (search)

Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccc(F)cc1 ZINC000002345879

ZINC000002345879 (search)

O=C1C(Cl)=C(N2CCC(C(=O)O)CC2)C(=O)c2ccccc21 ZINC000000549878

ZINC000000549878 (search)

CC(=O)C1=C(c2cccc([N+](=O)[O-])c2)N(C(C)=O)n2c(C)nnc2S1 ZINC000001432451

ZINC000001432451 (search)

$Cc1ccc(S(=O)(=O)/N=C2\C=C(Nc3cccc(C(=O)O)c3)C(=O)c3ccccc32)c(C)c1 ZINC000000944511$

ZINC000000944511 (search)

COC(=O)Cn1c2ccc(F)cc2c2nc(C)sc21 ZINC000002324413

ZINC000002324413 (search)

Cc1oc2c(c1C(=O)c1ccc(Cl)cc1)C(=O)C(=O)c1ccccc1-2 ZINC000004785574

ZINC000004785574 (search)

CC(C)(C)c1c(Cl)c(O)c(-c2ccccc2)c(=O)n1-c1ccccc1 ZINC000005408102

ZINC000005408102 (search)

NC1=C(Br)C(=O)c2ncccc2C1=O ZINC000001868226

ZINC000001868226 (search)

$NC(=N/CCCCCC/N=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(/N)Nc1ccc(Cl)cc1 ZINC000014768621$

ZINC000014768621 (search)

Cc1cc(C(F)F)n2ncc(C(=O)NCCc3ccc(Cl)cc3)c2n1 ZINC000002770089

ZINC000002770089 (search)

CSc1nc(N)nc2c1ncn2CC(=O)N[C@H](C)c1cccc2ccccc12 ZINC000061947343

ZINC000061947343 (search)

$CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC ZINC000013132550$

ZINC000013132550 (search)

O=S(=O)(O)c1ccc(O)c2cc(Nc3ccccc3)ccc12 ZINC000001577004

ZINC000001577004 (search)

O=C1C(Cl)=C(NCc2cccnc2)C(=O)c2ccccc21 ZINC000100548839

ZINC000100548839 (search)

CN(C)C(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O ZINC000008448352

ZINC000008448352 (search)

COP(=O)(OC)c1ccc(NCc2cc(O)ccc2O)cc1 ZINC000001651363

ZINC000001651363 (search)

CCOC(=O)CSc1nc2ccc(C)cc2n2cnnc12 ZINC000006701478

ZINC000006701478 (search)

O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(c34)C2=O)n1-c1ccccc1)N1CCCCC1 ZINC000008431430

ZINC000008431430 (search)

O=S(=O)(Nc1ccc(O)c2ccccc12)c1cccs1 ZINC000000073745

ZINC000000073745 (search)

O=S(=O)(Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12)c1ccccc1 ZINC000002685329

ZINC000002685329 (search)

$Cc1ccc(C2=NN/C(=N\c3ccc(F)cc3)SC2)cc1 ZINC000005866275$

ZINC000005866275 (search)