SMILES for Cyclin-dependent kinase 7

881 SMILES Strings for Cyclin-dependent kinase 7

Compound Name

SMILES String

O=C(NC12CC3CC(C1)CC(C3)(C2)NC(=O)OCc1ccccc1)OCc1ccccc1 |TLB:8:3:11:7.9.6,2:3:9:5.11.6,THB:4:5:12.3.8:9,4:3:9:5.11.6,8:7:11:12.3.4,2:3:11:7.9.6|

BDBM395706

Nc1ccc(cc1)C(=O)N[C@H]1C[C@H](O)C[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM395707

Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM395708

Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(C2CC2)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM395709

Nc1ccc(cc1)C(=O)NC12CC(C1)(CCC2)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |(8.13,1.76,;6.79,2.53,;5.41,1.79,;4.08,2.56,;4.08,4.1,;5.41,4.87,;6.74,4.1,;2.74,4.87,;2.74,6.41,;1.41,4.1,;.08,4.87,;-1.26,4.1,;-2.59,4.87,;-1.26,5.64,;-2.59,6.41,;-1.26,7.18,;.08,6.41,;-3.93,4.1,;-5.26,4.87,;-5.26,6.41,;-6.59,7.18,;-7.93,6.41,;-9.26,7.18,;-7.93,4.87,;-6.59,4.1,;-9.26,4.1,;-9.26,2.56,;-10.72,2.08,;-11.63,3.33,;-13.16,3.49,;-13.79,4.9,;-12.88,6.14,;-11.35,5.98,;-10.72,4.57,)|

BDBM395710

CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM395711

Nc1ccc(NC(=O)[C@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r|

BDBM395712

Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(C#N)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM395713

Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1cccnc1 |r|

BDBM395714

Nc1ccc(cc1)S(=O)(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM395715

Nc1ccc(cc1)C(=O)N[C@H]1C[C@@H](F)C[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM395716

Nc1ccc(cc1F)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM395717

Nc1ccc(C(=O)N[C@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c(F)c1 |r|

BDBM395718

NC(=O)C(=O)Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM395719

Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1nccc(n1)-c1c[nH]c2ccccc12 |r|

BDBM21079

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

BDBM31085

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1

BDBM26300

CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO

BDBM5931

CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3

BDBM25118

CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

BDBM31099

CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl

BDBM6866

c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F

BDBM7533

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

BDBM31095

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

BDBM16673

CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl

BDBM31096

CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM4814

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

BDBM32344

[O-][N+](=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1

BDBM32345

Brc1ccc(cc1)C(=O)NNC1=Nc2cccc3cccc1c23 |t:12|

BDBM32346

[H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)Nc1sc2CCCCCc2c1C(=O)OC |TLB:12:7:6:3.2,THB:9:8:6:3.2|

BDBM32347

CSc1ccccc1C(=O)NCc1ccc(F)cc1

BDBM32348

CC1Cc2ccccc2N1c1ncnc(N)c1[N+]([O-])=O

BDBM32349

Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C(C(=O)NCC2CCCO2)c2ccncc2)no1

BDBM32350

O=C(Nc1ccccc1C(=O)N1CCCC1)C1COc2ccccc2O1

BDBM32351

O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)c1ccccc1

BDBM32352

CCOC(=O)c1sc(=NC(=O)CCS(=O)(=O)c2ccccc2)n(C)c1C |w:8.8|

BDBM32353

Clc1ccc(Cl)c(c1)N1CSCC1=O

BDBM32354

OC(=O)c1cc(c[nH]1)C(=O)C1CCCCC1

BDBM32355

COc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NC2CCCC2)cc1

BDBM32356

Cc1c(C#N)c(N)nc(Cl)c1C#N

BDBM32357

COc1ccc(CNC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)cc1

BDBM32358

Cn1cccc1C(=O)NC(=O)COC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1

BDBM32359

O=C(CSc1ccncc1)Nc1ccc2ccccc2c1

BDBM32360

CC(N=Nc1ncc(Cl)cc1Cl)c1ccccn1 |w:3.3|

BDBM32361

CCCc1cc(=O)[nH]c(SCCCCN2C(=O)c3ccccc3C2=O)n1

BDBM8061

Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1

BDBM81429

CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1

BDBM81430

CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1

BDBM81431

CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(=O)(=O)NC)n1

BDBM81432

CNS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(N)nc2C)c1

BDBM81433

CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1

BDBM81434

CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1

BDBM81435

CCNS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(N)nc2C)c1

BDBM81436

CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1

BDBM81437

Cc1nc(N)sc1-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1

BDBM81438

CC1=C(SC(=O)N1C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC

BDBM81439

Cc1c(sc(=O)n1C)-c1ccnc(Nc2cccc(c2)C#N)n1

BDBM81440

Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(C)c(c2)N(=O)=O)n1

BDBM81441

Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1

BDBM32334

Oc1ccc2oc3c(CCCNC3=O)c2c1

BDBM92601

Oc1ccc2oc(=O)c3NCCCc3c2c1

BDBM12028

c1cc(ccc1/N=N\c2c([nH]nc2N)N)O

BDBM123786

Nc1n[nH]c(N)c1\N=N\c1ccncc1

BDBM124970

CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1

BDBM50358212

CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r|

BDBM50358213

CC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3

BDBM50358221

CCC(O)[C@@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|

BDBM50358235

CCC(O)[C@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|

BDBM50358222

CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|

BDBM50358236

CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|

BDBM50358223

CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|

BDBM50358237

CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|

BDBM50358210

CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|

BDBM50358211

CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|

BDBM164883

COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1 |r|

BDBM164884

COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1

BDBM50110183

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1

BDBM50458034

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN(C)C)ncc1F

BDBM444482

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C)CCc3n2)ncc1F

BDBM444483

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CCO)ncc1F

BDBM444493

CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1

BDBM444494

CN1CCN(CC(=C)N2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(C6CCCC6)c5c4)ccc3C2)CC1

BDBM444495

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCOCC2)ncc1F

BDBM444496

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N(C)C)ncc1F

BDBM444501

CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1

BDBM444516

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C=C)ncc1F

BDBM444525

CN(C)CCOC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1

BDBM444526

C[C@@H](N(C)C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|

BDBM444530

Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)NCCO)ncc1F

BDBM444531

CNCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1

BDBM444532

CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1

BDBM444534

CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1

BDBM444539

CN1CCC[C@H]1C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|

BDBM444540

CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1

BDBM444541

CN(C)CCN(C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1

BDBM444542

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H](C)N(C)C)ncc1F |r|

BDBM444543

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F

BDBM444545

Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CCCN2)ncc1F

BDBM444548

Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CNCCc3n2)ncc1F

BDBM444549

CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1

BDBM444550

CN(C)CCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1

BDBM444555

CN1CCC[C@@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|

BDBM444560

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC#CCN(C)C)CCc3n2)ncc1F

BDBM444561

C[C@H](CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1)N(C)C |r|

BDBM444563

CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F

BDBM444564

CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F

BDBM444565

CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F

BDBM444567

CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F

BDBM444569

CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1

BDBM444571

CN(C)CCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1

BDBM444573

CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1

BDBM444574

CN1CCO[C@@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r|

BDBM444575

CN1CCO[C@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r|

BDBM444578

CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1

BDBM444579

C[C@@H]1NCCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r|

BDBM444586

C[C@@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1 |r|

BDBM444589

C[C@@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1CCN(C)C |r|

BDBM444591

CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1

BDBM444593

Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r|

BDBM444594

Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r|

BDBM444595

CN1CCC[C@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|

BDBM444605

CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1

BDBM444607

CN1CCN(CCN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)CC1

BDBM444609

CN(CCO)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1

BDBM444613

CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1

BDBM444620

Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN)CCc3n2)ncc1F

BDBM444621

CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1

BDBM444486

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F

BDBM50458035

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CO)ncc1F

BDBM50458046

COCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1

BDBM444634

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCO)CCc3n2)ncc1F

BDBM475931

Nc1ccc(cc1)C(=O)NC12CC3CC(C1)CC(C3)(C2)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |TLB:13:14:19:12.11.18,13:12:19:16.14.15,THB:20:17:11:14.13.15,16:17:11:14.13.15,16:14:11:19.17.18|

BDBM475935

Nc1ccc(cc1)C(=O)NC1CC(O)CC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

BDBM475948

Nc1ccc(cc1)C(=O)NC1CC(F)CC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

BDBM475952

CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM478430

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCN(CC1)C(=O)OC(C)(C)C |t:22|

BDBM478485

C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCN(CC1)C(=O)C=C |r,t:22|

BDBM478800

CC(C)C(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCN(CC1)C(=O)C=C |t:24|

BDBM478281

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCN(CC1)C(=O)C=C |t:22|

BDBM478326

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCN(CC1)C(=O)C=C |w:1.0,t:22|

BDBM478893

CC(C)C(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCN(CC1)C(=O)C=C |t:24|

BDBM478491

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCCN(CC1)C(=O)C=C |t:22|

BDBM478327

C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)C1CCC(CC1)NC(=O)C=C |r,wU:1.0,(-3.35,4.85,;-2.02,4.08,;-.69,4.85,;.65,4.08,;-.69,6.39,;.65,7.16,;2.05,6.53,;3.08,7.68,;2.31,9.01,;.81,8.69,;4.62,7.52,;5.86,6.61,;6.02,8.14,;-2.02,2.54,;-.69,1.77,;-.69,.23,;-2.02,-.54,;-3.35,.23,;-3.35,1.77,;-2.02,-2.08,;-3.35,-2.85,;-3.35,-4.39,;-2.02,-5.16,;-.69,-4.39,;-.69,-2.85,;-2.02,-6.7,;-3.35,-7.47,;-3.35,-9.01,;-4.69,-6.7,;-6.02,-7.47,)|

BDBM478666

C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)C1CCC(CC1)NC(=O)C=C |r,wD:1.0,(-3.35,4.85,;-2.02,4.08,;-.69,4.85,;.65,4.08,;-.69,6.39,;.65,7.16,;2.05,6.53,;3.08,7.68,;2.31,9.01,;.81,8.69,;4.62,7.52,;5.86,6.61,;6.02,8.14,;-2.02,2.54,;-.69,1.77,;-.69,.23,;-2.02,-.54,;-3.35,.23,;-3.35,1.77,;-2.02,-2.08,;-3.35,-2.85,;-3.35,-4.39,;-2.02,-5.16,;-.69,-4.39,;-.69,-2.85,;-2.02,-6.7,;-3.35,-7.47,;-3.35,-9.01,;-4.69,-6.7,;-6.02,-7.47,)|

BDBM478328

C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1CCN(CC1)C(=O)C=C |r|

BDBM478329

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1CCN(CC1)C(=O)C=C

BDBM478350

C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCN(CC1)C(=O)\C=C\CN(C)C |r,t:22|

BDBM478931

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)N1CCN(CC1)C(=O)C=C

BDBM478758

C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)N1CCN(CC1)C(=O)C=C |r|

BDBM478354

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)N1CCN(CC1)C(=O)C=C

BDBM478934

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCCN(C1)C(=O)C=C |t:22|

BDBM478936

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCN(C1)C(=O)C=C |t:22|

BDBM478939

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1CCCN(C1)C(=O)C=C

BDBM478940

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(C2=CCCN(C2)C(=O)C=C)c(F)c1 |t:19|

BDBM478942

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(C2=CCN(CC2)C(=O)C=C)c(F)c1 |w:1.0,t:19|

BDBM478947

C=CC(=O)N1CCC=C(C1)c1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cn1 |c:7|

BDBM478948

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCN(CC1)C(=O)C#C[Si](C)(C)C |t:22|

BDBM478949

CC#CC(=O)N1CCC(=CC1)c1ccc(cn1)C(C)C(=O)Nc1cc([nH]n1)C1CC1 |c:8|

BDBM478950

CC#CC(=O)N1CCC=C(C1)c1ccc(cn1)C(C)C(=O)Nc1cc([nH]n1)C1CC1 |c:8|

BDBM478951

C=CC(=O)N1CC=C(C1)c1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cn1 |c:6|

BDBM50458051

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCN(C)CC2)ncc1F

BDBM493977

CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1

BDBM493985

Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H]2CCCN2)ncc1F |r|

BDBM444577

[#6]-[#6](-[#6])-n1c(-[#6])nc2c(F)cc(cc12)-c1nc(-[#7]-c2ccc3-[#6]-[#7](-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-[#6]-c3n2)ncc1F

BDBM494018

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CB(O)O)CCc3n2)ncc1F

BDBM494029

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCS(C)(=O)=NC#N)CCc3n2)ncc1F

BDBM494032

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r|

BDBM494033

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r|

BDBM519455

C=CC(=O)Nc1cccc(c1)C(=O)Nc1ncc(s1)N1CCOCC1

BDBM519456

CN1CCN(CC1)c1cnc(NC(=O)c2cccc(NC(=O)C=C)c2)s1

BDBM519476

CCN1CCN(CC1)c1cnc(NC(=O)c2cccc(NC(=O)C=C)c2)s1

BDBM519479

CC(C)(C)OC(=O)N1CCN(CC1)c1cnc(NC(=O)c2cccc(NC(=O)C=C)c2)s1

BDBM519480

CN(C)C1CCN(CC1)c1cnc(NC(=O)c2cccc(NC(=O)C=C)c2)s1

BDBM519490

CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1

BDBM519493

CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)C3CCC(CC3)NC(=O)C=C)s2)o1 |(7.03,2.4,;7.43,3.88,;8.92,4.28,;8.52,2.8,;6.34,4.97,;6.34,6.51,;4.88,6.99,;3.97,5.74,;2.43,5.74,;1.66,7.08,;.12,7.08,;-.78,8.32,;-2.25,7.85,;-2.25,6.31,;-3.58,5.54,;-3.58,4,;-2.25,3.23,;-2.25,1.69,;-3.58,.92,;-4.92,1.69,;-4.92,3.23,;-6.25,.92,;-7.58,1.69,;-6.25,-.62,;-7.58,-1.39,;-7.58,-2.93,;-6.25,-3.7,;-4.92,-2.93,;-4.92,-1.39,;-6.25,-5.24,;-7.58,-6.01,;-8.92,-5.24,;-7.58,-7.55,;-8.92,-8.32,;-.78,5.83,;4.88,4.5,)|

BDBM519500

CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)N3CCC(CC3)NC(=O)C=C)s2)o1

BDBM519527

CC(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1

BDBM519528

CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)Oc3ccc(NC(=O)C=C)cc3)s2)o1

BDBM519529

CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)c3ccc(CNC(=O)C=C)cc3)s2)o1

BDBM50539921

CC(C)(C)c1cnc(CSc2nnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|

BDBM50539906

CC(C)(C)c1cnc(CSc2cnc(NC3CCCC(C3)Nc3ccc(NC(=O)C=C)cc3)s2)o1

BDBM519532

COc1cc(NC(=O)C=C)ccc1C(=O)N1CCC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|

BDBM519533

CC(C)(C)c1cnc(CSc2cnc(NC3CCCC(C3)C(=O)N3CCC(CC3)NC(=O)C=C)s2)o1

BDBM519534

CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCC[C@H](C3)Oc3ccc(NC(=O)C=C)cc3)s2)o1 |r|

BDBM519535

FC(F)(F)c1cc(NCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)ncc1Cl |r|

BDBM519536

CC(C)(C)c1cnc(\C=C\c2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|

BDBM50539916

CC(C)(C)c1cnc(CCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|

BDBM519538

FC(F)(F)c1cccc(COCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)c1 |r|

BDBM50539917

CC(C)(C)c1cnc(COCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|

BDBM50539918

CC(C)(C)c1cnc(CNCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|

BDBM519542

CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)S(=O)(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|

BDBM519543

C=CC(=O)Nc1ccc(cc1)S(=O)N1CCCC(C1)Nc1ncc(SCc2ccncc2)s1

BDBM519544

C=CC(=O)Nc1ccc(cc1)S(=O)N1CCCC(C1)Nc1ncc(SCc2cccnc2)s1

BDBM519545

C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCc2ccccn2)s1 |r|

BDBM50539914

FC(F)(F)c1ncc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)cn1 |r|

BDBM519547

CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)S(=O)(=O)c3ccc4N(CCc4c3)C(=O)C=C)s2)o1 |r|

BDBM519548

CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCC[C@H](C3)Oc3ccc(NC(=O)C=C)cc3C(F)(F)F)s2)o1 |r|

BDBM50539915

C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCC2CCOCC2)s1 |r|

BDBM519550

C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCc2cncnc2)s1 |r|

BDBM519551

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|

BDBM519552

CN(C)C\C=C\C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|

BDBM519553

CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|

BDBM519554

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|

BDBM601933

NS(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1

BDBM601934

NS(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1

BDBM601935

NS(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1

BDBM601936

NS(=O)(=O)c1ccc(Nc2ncc3cc4NN=CC5(CCCCC5)n4c3n2)cc1 |c:16|

BDBM601937

CN1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21

BDBM601938

NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r|

BDBM601939

C[C@@H]1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |r|

BDBM601940

CN1N=CC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |c:2|

BDBM601941

NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r|

BDBM601942

CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1

BDBM601944

CC1C(=O)N(C)c2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1

BDBM601945

CC1=NNc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1 |t:1|

BDBM601946

CN1N=C(C)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |t:2|

BDBM601947

CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1

BDBM601948

CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1

BDBM601949

CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1

BDBM601950

CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1

BDBM601951

CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1

BDBM601952

CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1

BDBM601953

O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)cc1

BDBM601954

CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(=O)(=O)N4CCN(C)CC4)nc3n2C11CCCCC1

BDBM601955

O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1

BDBM601956

CN(C)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1

BDBM601957

NC(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1

BDBM601958

CNC(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1

BDBM601961

O=C(N1CCOCC1)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1

BDBM50526797

CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@H]4CCNC[C@@H]4O

BDBM642787

CCc1cnn2c(NCc3ccccc3F)cc(NC[C@H]3CCNC[C@@H]3O)nc12

BDBM642788

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccccc2)n2ncc(C3CC3)c2n1

BDBM642789

CCc1cnn2c(NCc3cccc(c3)C#N)cc(NC[C@H]3CCNC[C@@H]3O)nc12

BDBM642790

CCc1cnn2c(NCc3cccc(c3)C#N)c(Cl)c(NC[C@H]3CCNC[C@@H]3O)nc12

BDBM663240

C=CC(=O)NCCN1CCC(CC1)c1ccc2OCc3c(Nc2c1)ncnc3N1CCOCC1

BDBM663241

C=CC(=O)N1CC[C@@H](C1)N1CCC(CC1)c1ccc2OCc3c(Nc2c1)ncnc3N1CCOCC1 |r|

BDBM663619

C=CC(=O)N1CC(C1)N1CCN(CC1)c1ccc2OCc3c(Nc2c1)ncnc3N1CCOCC1

BDBM663620

C=CC(=O)N1CC(C1)C1CCN(CC1)c1ccc2OCc3c(Nc2c1)ncnc3N1CCOCC1

BDBM663623

Cn1cc(ccc1=O)-c1ncnc2Nc3cc(ccc3OCc12)C1CCN(CC1)C1CN(C1)C(=O)C=C

BDBM663636

C=CC(=O)N1CC(C1)N1CC[C@@H](C1)c1ccc2OCc3c(Nc2c1)ncnc3N1CCOCC1 |r|

BDBM663647

C=CC(=O)N1CC(C1)N1CC[C@H](C1)c1ccc2OCc3c(Nc2c1)ncnc3N1CCOCC1 |r|

BDBM663648

CC1CC(CCN1C1CN(C1)C(=O)C=C)c1ccc2OCc3c(Nc2c1)ncnc3N1CCOCC1

BDBM663649

C=CC(=O)N1CC(C1)N1CCCC(C1)c1ccc2OCc3c(Nc2c1)ncnc3N1CCOCC1

BDBM663650

C[C@H]1CN(CC[C@H]1c1ccc2OCc3c(Nc2c1)ncnc3N1CCOCC1)C1CN(C1)C(=O)C=C |r|

BDBM663652

C[C@@H]1CN(CC[C@@H]1c1ccc2OCc3c(Nc2c1)ncnc3N1CCOCC1)C1CN(C1)C(=O)C=C |r|

BDBM663653

C=CC(=O)N1CC(C1)N1CCC(CC1)c1ccc2OCc3c(Nc2c1)ncnc3N1CCOCC1

BDBM663663

C=CC(=O)N1CCC(CC1)N1CCC(CC1)c1ccc2OCc3c(Nc2c1)ncnc3N1CCOCC1

BDBM663694

Cc1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)C1CCN(CC1)C1CCN(C1)C(=O)C=C

BDBM663695

Cc1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)C1CCN(CC1)[C@H]1CCN(C1)C(=O)C=C |r|

BDBM663696

Cc1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)C1CCN(CC1)[C@@H]1CCN(C1)C(=O)C=C |r|

BDBM663697

Cc1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)C1CN(C1)C1CCN(CC1)C(=O)C=C

BDBM663698

FC1CN(CCC1N1CCC(CC1)c1ccc2OCc3c(Nc2c1)ncnc3N1CCOCC1)C(=O)C=C

BDBM663699

Cc1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)C1CN(C1)C1CCN(C1)C(=O)C=C

BDBM663700

Cc1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)C1CN(C1)[C@@H]1CCN(C1)C(=O)C=C |r|

BDBM663701

Cc1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)C1CN(C1)[C@H]1CCN(C1)C(=O)C=C |r|

BDBM663702

Clc1cc(cc2Nc3nccc(C4CCOCC4)c3COc12)C1CN(C1)C1CCN(CC1)C(=O)C=C

BDBM663703

Fc1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)C1CCN(CC1)C1CN(C1)C(=O)C=C

BDBM663704

Cn1cc(cn1)-c1ncnc2Nc3cc(cc(F)c3OCc12)C1CCN(CC1)C1CN(C1)C(=O)C=C

BDBM663705

Cc1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)[C@@H]1CCN(C1)C1CN(C1)C(=O)C=C |r|

BDBM663706

Cc1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)[C@H]1CCN(C1)C1CN(C1)C(=O)C=C |r|

BDBM663707

Cc1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)[C@H]1CCN(C1)C1CCN(CC1)C(=O)C=C |r|

BDBM663708

Cc1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)[C@@H]1CCN(C1)C1CCN(CC1)C(=O)C=C |r|

BDBM663709

C[C@@H]1Oc2c(F)cc(cc2Nc2ncnc(N3CCOCC3)c12)C1CN(C1)C1CCN(CC1)C(=O)C=C |r|

BDBM663710

C[C@H]1Oc2c(F)cc(cc2Nc2ncnc(N3CCOCC3)c12)C1CN(C1)C1CCN(CC1)C(=O)C=C |r|

BDBM663711

Cc1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)C1CN(C1)C1CCN(CC1F)C(=O)C=C

BDBM663713

Cc1nc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)[C@@H]1CCN(C1)C1CN(C1)C(=O)C=C |r|

BDBM663714

Cc1nc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)[C@H]1CCN(C1)C1CN(C1)C(=O)C=C |r|

BDBM663715

C[C@@H]1Oc2c(C)cc(cc2Nc2ncnc(N3CCS(=O)(=O)CC3)c12)C1CCN(CC1)C1CN(C1)C(=O)C=C |r|

BDBM663716

C=CC(=O)N1CC(C1)N1CCC(CC1)c1ccc2OCc3c(Nc2c1)ncnc3C1=CCOCC1 |t:34|

BDBM663717

C=CC(=O)N1CC(C1)N1C2CCC1CC(C2)c1ccc2OCc3c(Nc2c1)ncnc3N1CCOCC1

BDBM663719

Clc1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)C1CCN(CC1)C1CN(C1)C(=O)C=C

BDBM663720

Cn1cc(cn1)-c1ncnc2Nc3cc(cc(c3OCc12)C(F)(F)F)C1CN(C1)C1CCN(CC1)C(=O)C=C

BDBM663721

FC(F)(F)c1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)C1CN(C1)C1CCN(CC1)C(=O)C=C

BDBM663722

C[C@H]1Oc2c(F)cc(cc2Nc2ncnc(N3CCOCC3)c12)C1CCN(CC1)C1CN(C1)C(=O)C=C |r|

BDBM663723

C=CC(=O)N1CC(C1)N1CCC(CC1)c1cc2Nc3ncnc(N4CCOCC4)c3COc2c(c1)C1CC1

BDBM663724

C=CC(=O)N1CC(C1)N1CCC(CC1)c1cc2Nc3ncnc(N4CCOCC4)c3COc2cn1

BDBM663725

C[C@@H]1Oc2c(F)cc(cc2Nc2ncnc(N3CCOCC3)c12)C1CCN(CC1)C1CN(C1)C(=O)C=C |r|

BDBM663726

Fc1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)C1CCN(CC1)[C@H]1CCN(C1)C(=O)C=C |r|

BDBM663727

Fc1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)C1CCN(CC1)[C@@H]1CCN(C1)C(=O)C=C |r|

BDBM663728

C[C@H]1Oc2c(F)cc(cc2Nc2ncnc(-c3cnn(C)c3)c12)C1CCN(CC1)C1CN(C1)C(=O)C=C |r|

BDBM663729

Fc1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)C1CN(C1)[C@H]1CCN(C1)C(=O)C=C |r|

BDBM663730

Fc1cc(cc2Nc3ncnc(N4CCOCC4)c3COc12)C1CN(C1)[C@@H]1CCN(C1)C(=O)C=C |r|

BDBM663731

C[C@H]1Oc2ccc(cc2Nc2ncnc(N3CCOCC3)c12)C1CCN(CC1)C1CN(C1)C(=O)C=C |r|

BDBM663732

C[C@@H]1Oc2ccc(cc2Nc2ncnc(N3CCOCC3)c12)C1CCN(CC1)C1CN(C1)C(=O)C=C |r|

BDBM663733

Cc1nc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)C1CCN(CC1)C1CN(C1)C(=O)C=C

BDBM663734

Cc1nc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)C1CCN(CC1)C1CCN(CC1)C(=O)C=C

BDBM663735

C[C@H]1Oc2cnc(cc2Nc2ncnc(N3CCOCC3)c12)C1CCN(CC1)C1CN(C1)C(=O)C=C |r|

BDBM663736

C=CC(=O)N1CC(C1)N1CCC(CC1)c1cc2Nc3ncnc(N4CCOCC4)c3COc2cc1C#N

BDBM663737

C[C@@H]1Oc2cnc(cc2Nc2ncnc(N3CCOCC3)c12)C1CCN(CC1)C1CN(C1)C(=O)C=C |r|

BDBM663738

Cc1nc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)C1CN(C1)C1CCN(CC1)C(=O)C=C

BDBM663739

Cc1nc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)C1CN(C1)C1CN(C1)C(=O)C=C

BDBM663740

Cc1cc(cc2Nc3ncnc(N4CCC(C4)S(C)(=O)=O)c3COc12)C1CCN(CC1)C1CN(C1)C(=O)C=C

BDBM663741

CCC1Oc2ccc(cc2Nc2ncnc(N3CCOCC3)c12)C1CCN(CC1)C1CN(C1)C(=O)C=C

BDBM663742

Cc1cc(cc2Nc3ncnc(N4CCCC(C4)C#N)c3COc12)C1CCN(CC1)C1CN(C1)C(=O)C=C

BDBM663743

Cc1cc(cc2Nc3ncnc(N4CCOC5(COC5)C4)c3COc12)C1CCN(CC1)C1CN(C1)C(=O)C=C

BDBM663744

Cc1cc(cc2Nc3ncnc(N4CCC(CC4)C#N)c3COc12)C1CCN(CC1)C1CN(C1)C(=O)C=C

BDBM663745

Cc1cc(cc2Nc3ncnc(N4CCC(CC4)S(C)(=O)=O)c3COc12)C1CCN(CC1)C1CN(C1)C(=O)C=C

BDBM663746

C=CC(=O)N1CC(C1)N1CCN(CC1)c1cc2Nc3ncnc(N4CCOCC4)c3COc2cn1

BDBM663747

Cn1cc(cn1)-c1ncnc2Nc3cc(cc(C#N)c3OCc12)C1CN(C1)C1CCN(CC1)C(=O)C=C

BDBM663748

Cn1cc(cn1)-c1ncnc2Nc3cc(cc(C#N)c3OCc12)C1CCN(CC1)C1CN(C1)C(=O)C=C

BDBM663749

CC[C@@H]1Oc2ccc(cc2Nc2ncnc(N3CCOCC3)c12)C1CCN(CC1)C1CN(C1)C(=O)C=C |r|

BDBM663750

CC[C@H]1Oc2ccc(cc2Nc2ncnc(N3CCOCC3)c12)C1CCN(CC1)C1CN(C1)C(=O)C=C |r|

BDBM663751

Cc1nc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)C1CN(C1)C1CCN(C1)C(=O)C=C

BDBM663752

Cc1nc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)C1CN(C1)[C@H]1CCN(C1)C(=O)C=C |r|

BDBM663753

Cc1nc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)C1CN(C1)[C@@H]1CCN(C1)C(=O)C=C |r|

BDBM663754

Cc1cc(cc2Nc3ncnc(-c4ccnn4C)c3COc12)C1CCN(CC1)C1CN(C1)C(=O)C=C

BDBM663755

Cc1nn(C)cc1-c1ncnc2Nc3cc(cc(C)c3OCc12)C1CCN(CC1)C1CN(C1)C(=O)C=C

BDBM663756

CCOc1cncc(c1)-c1ncnc2Nc3cc(cc(C)c3OCc12)C1CCN(CC1)C1CN(C1)C(=O)C=C

BDBM663758

C[C@H]1Oc2c(C)cc(cc2Nc2ncnc(N3CCS(=O)(=O)CC3)c12)C1CCN(CC1)C1CN(C1)C(=O)C=C |r|

BDBM663759

C[C@@H]1Oc2c(C)nc(cc2Nc2ncnc(N3CCS(=O)(=O)CC3)c12)C1CCN(CC1)C1CN(C1)C(=O)C=C |r|

BDBM663760

Cc1cc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)C1CN(C1)C1CCN(CC1)C(=O)C=C

BDBM663761

Cc1cc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)C1CCN(CC1)C1CCN(CC1)C(=O)C=C

BDBM663762

Cc1cc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)N1CCN(CC1)C1CCN(CC1)C(=O)C=C

BDBM663763

Cc1cc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)C1CN(C1)[C@H]1CCN(C1)C(=O)C=C |r|

BDBM663764

Cc1cc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)N1CCC(CC1)N1CCN(CC1)C(=O)C=C

BDBM663765

Cc1cc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)C1CN(C1)[C@@H]1CCN(C1)C(=O)C=C |r|

BDBM663766

C=CC(=O)N1CC[C@H](C1)N1CC(C1)c1cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc2c(c1)C1CC1 |r|

BDBM663767

C=CC(=O)N1CC[C@@H](C1)N1CC(C1)c1cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc2c(c1)C1CC1 |r|

BDBM663768

C[C@H]1Oc2c(Nc3ncnc(N4CCS(=O)(=O)CC4)c13)cc(cc2C1CC1)C1CN(C1)[C@H]1CCN(C1)C(=O)C=C |r|

BDBM663769

C[C@H]1Oc2c(Nc3ncnc(N4CCS(=O)(=O)CC4)c13)cc(cc2C1CC1)C1CN(C1)[C@@H]1CCN(C1)C(=O)C=C |r|

BDBM663770

C[C@@H]1Oc2c(Nc3ncnc(N4CCS(=O)(=O)CC4)c13)cc(cc2C1CC1)C1CN(C1)C1CCN(C1)C(=O)C=C |r|

BDBM663771

C[C@@H]1Oc2c(C)cc(cc2Nc2ncnc(N3CCS(=O)(=O)CC3)c12)C1CN(C1)C1CCN(CC1)C(=O)C=C |r|

BDBM663772

Cc1cc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)C1CCN(CC1)C1CN(C1)C(=O)C=C

BDBM663773

C[C@H]1Oc2c(C)cc(cc2Nc2ncnc(N3CCS(=O)(=O)CC3)c12)C1CN(C1)C1CCN(CC1)C(=O)C=C |r|

BDBM663774

CC1Oc2c(C)cc(cc2Nc2ncnc(N3CCOCC3)c12)C1CN(C1)C1CN(C1)C(=O)C=C

BDBM663775

Cc1cc(cc2Nc3ncnc(N4CCS(=N)(=O)CC4)c3COc12)C1CN(C1)C1CCN(CC1)C(=O)C=C

BDBM663776

C=CC(=O)N1CC(C1)N1CCC(CC1)c1cc2Nc3ncnc(N4CCOCC4)c3COc2c(c1)C#N

BDBM663777

Cc1cc(cc2Nc3ncnc(N4CC(CO)C4)c3COc12)C1CCN(CC1)C1CN(C1)C(=O)C=C

BDBM663778

C[C@H]1Oc2c(C)cc(cc2Nc2ncnc(-c3cnn(C)c3)c12)C1CN(C1)C1CN(C1)C(=O)C=C |r|

BDBM663779

Cc1cc(cc2Nc3ncnc(C4CCS(=N)(=O)CC4)c3COc12)C1CN(C1)C1CN(C1)C(=O)C=C

BDBM663780

Cc1cc(cc2Nc3ncnc(C4CCS(=O)(=O)CC4)c3COc12)C1CN(C1)C1CN(C1)C(=O)C=C

BDBM663781

Cc1cc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)C1CN(C1)C1CCN(C1)C(=O)C=C

BDBM663782

Cc1cc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)C1CCN(CC1)[C@@H]1CCN(C1)C(=O)C=C |r|

BDBM663783

Cc1cc(cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3COc12)C1CCN(CC1)[C@H]1CCN(C1)C(=O)C=C |r|

BDBM663784

C[C@@H]1Oc2c(C)cc(cc2Nc2ncnc(N3CCS(=O)(=O)CC3)c12)C1CN(C1)[C@H]1CCN(C1)C(=O)C=C |r|

BDBM663785

C[C@H]1Oc2c(C)cc(cc2Nc2ncnc(N3CCS(=O)(=O)CC3)c12)C1CN(C1)[C@H]1CCN(C1)C(=O)C=C |r|

BDBM663786

C[C@@H]1Oc2c(C)cc(cc2Nc2ncnc(N3CCS(=O)(=O)CC3)c12)C1CN(C1)[C@@H]1CCN(C1)C(=O)C=C |r|

BDBM663787

C[C@H]1Oc2c(C)cc(cc2Nc2ncnc(N3CCS(=O)(=O)CC3)c12)C1CN(C1)[C@@H]1CCN(C1)C(=O)C=C |r|

BDBM663788

C=CC(=O)N1CCC(CC1)N1CC(C1)c1cc2Nc3ncnc(N4CCOCC4)c3COc2c(c1)C#N

BDBM663790

CC#CC(=O)N1CCC(CC1)N1CC(C1)c1cc(C)c2OC(C)c3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1

BDBM663791

CC#CC(=O)N1CCC(CC1)N1CC(C1)c1cc(C)c2O[C@H](C)c3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1 |r|

BDBM663792

CC#CC(=O)N1CCC(CC1)N1CC(C1)c1cc(C)c2O[C@@H](C)c3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1 |r|

BDBM663793

CC#CC(=O)N1CC[C@@H](C1)N1CC(C1)c1cc(C)c2OCc3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1 |r|

BDBM663794

CC#CC(=O)N1CC[C@H](C1)N1CC(C1)c1cc(C)c2OCc3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1 |r|

BDBM663795

CC#CC(=O)N1CC[C@@H](C1)N1CC(C1)c1cc(C)c2O[C@H](C)c3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1 |r|

BDBM663796

CC#CC(=O)N1CC[C@@H](C1)N1CC(C1)c1cc(C)c2O[C@@H](C)c3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1 |r|

BDBM663797

CC#CC(=O)N1CC[C@H](C1)N1CC(C1)c1cc(C)c2O[C@H](C)c3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1 |r|

BDBM663798

CC#CC(=O)N1CC[C@H](C1)N1CC(C1)c1cc(C)c2O[C@@H](C)c3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1 |r|

BDBM663799

CC#CC(=O)N1CCC(CC1)N1CC(C1)c1cc(C)c2OCc3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1

BDBM663800

CC#CC(=O)N1CC[C@@H](C1)N1CCC(CC1)c1cc(C)c2OCc3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1 |r|

BDBM663801

CC#CC(=O)N1CC[C@H](C1)N1CCC(CC1)c1cc(C)c2OCc3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1 |r|

BDBM663802

CC#CC(=O)N1CCC(CC1)N1CCN(CC1)c1cc(C)c2OCc3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1

BDBM663803

CC#CC(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2OCc3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1

BDBM663804

CC#CC(=O)N1CCC(CC1)N1CCC(=CC1)c1cc(C)c2OCc3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1 |c:15|

BDBM663805

CC#CC(=O)N1CC(C1)N1CCC(CC1)c1cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3[C@@H](C)Oc2c(C)n1 |r|

BDBM663806

CC#CC(=O)N1CC(C1)N1CCC(CC1)c1cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3[C@H](C)Oc2c(C)n1 |r|

BDBM663808

CC#CC(=O)N1CC(C)(C1)N1CCC(CC1)c1cc(C)c2O[C@H](C)c3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1 |r|

BDBM663809

CC#CC(=O)N1CC(C1)N1CCC(CC1)c1cc(C)c2O[C@H](C)c3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1 |r|

BDBM663810

CC#CC(=O)N1CC(C1)N1CCC(CC1)c1cc(C)c2O[C@@H](C)c3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1 |r|

BDBM663811

CC#CC(=O)N1CC(C1)N1CCC(CC1)c1cc(C)c2OCc3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1

BDBM663812

CC#CC(=O)N1CCC(C1)N1CCC(CC1)c1cc(C)c2OCc3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1

BDBM663813

CC#CC(=O)N1CCC(CC1)N1CCN(CC1)c1cc(C)c2O[C@H](C)c3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1 |r|

BDBM663814

CC#CC(=O)N1CC(C1)N1CCN(CC1)c1cc(C)c2O[C@H](C)c3c(Nc2c1)ncnc3N1CCS(=O)(=O)CC1 |r|

BDBM663817

C[C@H]1Oc2c(Nc3ncnc(N4CCS(=O)(=O)CC4)c13)cc(cc2C#C)C1CCN(CC1)C1CN(C1)C(=O)C=C |r|

BDBM663818

CC#CC(=O)N1CC(C1)N1CCC(CC1)c1cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3[C@H](C)Oc2c(c1)C#C |r|

BDBM663819

CC#CC(=O)N1CC(C1)N1CCC(CC1)c1cc2Nc3ncnc(N4CCS(=O)(=O)CC4)c3[C@@H](C)Oc2c(c1)C#C |r|

BDBM663820

C[C@H]1Oc2c(Nc3ncnc(N4CCS(=O)(=O)CC4)c13)cc(cc2C#C)C1CN(C1)[C@H]1CCN(C1)C(=O)C=C |r|

BDBM663821

C[C@@H]1Oc2c(Nc3ncnc(N4CCS(=O)(=O)CC4)c13)cc(cc2C#C)C1CN(C1)[C@H]1CCN(C1)C(=O)C=C |r|

BDBM663822

CC#CC(=O)N1CC(C1)N1CCC(CC1)c1cc(C)c2OCc3c(Nc2c1)ncnc3N1CCOC2(COC2)C1

BDBM699498

CC(C(=O)Nc1ncc(s1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)C=C)nc1

BDBM699504

CC(C(=O)Nc1ncc(s1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)nc1

BDBM699506

C[C@H](C(=O)Nc1ncc(s1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)C=C)nc1 |r|

BDBM699531

C[C@H](C(=O)Nc1ncc(s1)C1CC1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)nc1 |r|

BDBM699532

CCc1cnc(NC(=O)[C@@H](C)c2cccc(c2)-c2ccc(NC(=O)\C=C\CN(C)C)nc2)s1 |r|

BDBM699537

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1cnc(NC(=O)C=C)cn1 |r|

BDBM699538

CC(C(=O)Nc1ncc(s1)C(F)(F)F)c1cncc(c1)-c1cnc(NC(=O)C=C)cn1

BDBM699539

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cncc(c1)-c1cnc(NC(=O)C=C)cn1

BDBM699545

CC(C(=O)Nc1ncc(s1)C(F)(F)F)c1cncc(c1)-c1cnc(NC(=O)\C=C\CN(C)C)cn1

BDBM699551

CC(C(=O)Nc1ncc(Cl)s1)c1cncc(c1)-c1cnc(NC(=O)\C=C\CN(C)C)cn1

BDBM699556

CC(C(=O)Nc1ncc(s1)C(F)(F)F)c1cncc(c1)-c1cnc(NC(=O)\C=C\CN2CCOCC2)cn1

BDBM699557

CC(C(=O)Nc1ncc(Cl)s1)c1cc(cs1)-c1ccc(NC(=O)C=C)nc1

BDBM699568

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN(C)C)cn1 |r|

BDBM699569

CC(C(=O)Nc1ncc(s1)C(F)(F)F)c1cncc(c1)-c1ccc(NC(=O)C=C)nc1

BDBM699571

CC(C(=O)Nc1ncc(s1)C(F)(F)F)c1cncc(c1)-c1cnc(NC(=O)\C=C\CN2CC3CC2CO3)cn1

BDBM699572

CC(C(=O)Nc1ncc(s1)C(F)(F)F)c1cncc(c1)-c1cnc(NC(=O)C=C)cc1F

BDBM699574

CC(C(=O)Nc1ncc(s1)C(F)(F)F)c1cncc(c1)-c1cnc(NC(=O)C=C)c(c1)C#N

BDBM699587

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN2CCOCC2)cn1 |r|

BDBM699596

C[C@H](C(=O)Nc1ncc(Cl)s1)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN(C)C)cn1 |r|

BDBM699601

C[C@H](C(=O)Nc1ncc(Cl)s1)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN2CC3CC2CO3)cn1 |r|

BDBM699603

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN2CCN(C)CC2)cn1 |r|

BDBM699619

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN2CC3CC2CO3)cn1 |r|

BDBM699622

C[C@H](C(=O)Nc1ncc(Cl)s1)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN2CCOCC2)cn1 |r|

BDBM699625

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN(C)C)c(F)c1 |r|

BDBM699626

COc1cc(cnc1NC(=O)\C=C\CN(C)C)-c1cccc(c1)[C@H](C)C(=O)Nc1ncc(s1)C(F)(F)F |r|

BDBM699633

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN(C)C)c(c1)C#N |r|

BDBM699634

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN2CCCC2)cn1 |r|

BDBM699635

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN2CCC2)cn1 |r|

BDBM699636

C[C@H](C(=O)Nc1ncc(s1)C1CCC1)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN(C)C)cn1 |r|

BDBM699637

C[C@H](C(=O)Nc1ncc(s1)N(C)C)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN(C)C)cn1 |r|

BDBM699639

CC(C(=O)Nc1ncc(s1)C(F)(F)F)c1cncc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)nc1

BDBM699644

CC(C(=O)Nc1ncc(s1)C(F)(F)F)c1cncc(c1)-c1cnc(NC(=O)\C=C\CN(C)C)c(c1)C#N

BDBM699651

COc1nc(cnc1NC(=O)\C=C\CN(C)C)-c1cccc(c1)[C@H](C)C(=O)Nc1ncc(s1)C(F)(F)F |r|

BDBM699660

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1cnc2N(CCc2c1)C(=O)\C=C\CN(C)C |r|

BDBM699661

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN(C)C)c(c1)C(F)(F)F |r|

BDBM699663

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN(C)C)c(C)c1 |r|

BDBM699673

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN(C)C)c(Cl)c1 |r|

BDBM699678

CCN(CC)C\C=C\C(=O)Nc1cnc(cn1)-c1cccc(c1)[C@H](C)C(=O)Nc1ncc(s1)C(F)(F)F |r|

BDBM699682

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN2CC[C@@H](F)C2)cn1 |r|

BDBM699683

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)nc1 |r|

BDBM699684

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN2CC[C@H](F)C2)cn1 |r|

BDBM699685

COC[C@@H]1CCCN1C\C=C\C(=O)Nc1cnc(cn1)-c1cccc(c1)[C@H](C)C(=O)Nc1ncc(s1)C(F)(F)F |r|

BDBM699686

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN2CCC(O)C2)cn1 |r|

BDBM699687

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1cnc(NC(=O)\C=C\CN2CCCCC2)cn1 |r|

BDBM699688

CCc1cnc(NC(=O)[C@@H](C)c2cccc(c2)-c2cnc(NC(=O)\C=C\CN(C)C)c(c2)C#N)s1 |r|

BDBM699689

CCc1cnc(NC(=O)[C@@H](C)c2cccc(c2)-c2cnc3N(CCc3c2)C(=O)\C=C\CN(C)C)s1 |r|

BDBM699690

CCc1cnc(NC(=O)[C@@H](C)c2cccc(c2)-c2cnc(NC(=O)\C=C\CN3CC4CC3CO4)c(c2)C#N)s1 |r|

BDBM699691

C[C@H](C(=O)Nc1ncc(s1)C(F)(F)F)c1cccc(c1)-c1cnc(NC(=O)C=C)c(c1)C#N |r|

BDBM699692

CCc1cnc(NC(=O)[C@@H](C)c2cccc(c2)-c2cnc(NC(=O)\C=C\CN(C)C)c(C)c2)s1 |r|

BDBM699693

CCc1cnc(NC(=O)C2(CC2)c2cccc(c2)-c2cnc(NC(=O)\C=C\CN(C)C)c(c2)C#N)s1

BDBM699694

CCc1cnc(NC(=O)[C@@H](C)c2cccc(c2)-c2ccc(nc2)N(C)C(=O)\C=C\CN(C)C)s1 |r|

BDBM699695

CCc1cnc(NC(=O)[C@@H](C)c2cccc(c2)-c2cnc(NC(=O)\C=C\CN(C)C)c(F)c2)s1 |r|

BDBM699696

CCC(C(=O)Nc1ncc(CC)s1)c1cccc(c1)-c1ccc(NC(=O)\C=C\CN(C)C)cn1

BDBM699697

CCc1cnc(NC(=O)[C@@H](C)c2cccc(c2)-c2cnc(N(C)C(=O)\C=C\CN(C)C)c(c2)C#N)s1 |r|

BDBM699698

CCc1cnc(NC(=O)C2(CC2)c2cccc(c2)-c2cnc3N(CCc3c2)C(=O)\C=C\CN(C)C)s1

BDBM699699

CCc1cnc(NC(=O)[C@@H](C)c2cccc(c2)-c2cnc(NC(=O)\C=C\CN3CCOCC3)c(c2)C#N)s1 |r|

BDBM699700

CCc1cnc(NC(=O)[C@@H](C)c2cccc(c2)-c2cnc(NC(=O)\C=C\CN3CCN(C)CC3)c(c2)C#N)s1 |r|

BDBM699701

CCc1cnc(NC(=O)C(C)c2cncc(c2)-c2cnc(NC(=O)\C=C\CN(C)C)c(c2)C#N)s1

BDBM699702

CCC(C(=O)Nc1ncc(CC)s1)c1cncc(c1)-c1cnc(NC(=O)\C=C\CN(C)C)c(c1)C#N

BDBM706338

CCC(CC)Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1

BDBM706339

CC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12

BDBM706340

CC(C)c1cnn2c(NCc3ccc(-c4ccncc4)cc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12

BDBM706341

CC(C)c1cnn2c(NCc3ccc(-c4cccnc4)cc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12

BDBM706342

CC(C)c1cnn2c(NCc3ccc(-c4ccccc4)cc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12

BDBM706343

CCc1cnn2c(NCc3ccc(-c4ccccn4)cc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12

BDBM706344

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3ccccn3)cc2)n2ncc(C3CC3)c2n1

BDBM706345

CC(C)c1cnn2c(NCc3ccc(-c4ncccn4)cc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12

BDBM706346

CC(C)c1cnn2c(NCc3ccc(-c4ccncn4)cc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12

BDBM706347

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-n3cccn3)cc2)n2ncc(C3CC3)c2n1

BDBM706348

N#Cc1cnn2c(NCc3ccc(-c4ccccn4)cc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12

BDBM706349

Cc1cc(CNc2cc(NC[C@H]3CCNC[C@@H]3O)nc3c(C(C)C)cnn23)ccc1-c1ccccn1

BDBM706350

Cc1cccnc1-c1ccc(CNc2cc(NC[C@H]3CCNC[C@@H]3O)nc3c(C(C)C)cnn23)cc1

BDBM706351

COc1cccnc1-c1ccc(CNc2cc(NC[C@H]3CCNC[C@@H]3O)nc3c(C(C)C)cnn23)cc1

BDBM706352

CC(C)c1cnn2c(NCc3ccc(-c4ncccc4F)cc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12

BDBM706353

COc1cc(CNc2cc(NC[C@H]3CCNC[C@@H]3O)nc3c(C4CC4)cnn23)ccc1-c1ccccn1

BDBM706354

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3ccccn3)cc2)n2ncc(Cl)c2n1

BDBM706355

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-n3cccc3)cc2)n2ncc(C3CC3)c2n1

BDBM706356

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3nccs3)cc2)n2ncc(C3CC3)c2n1

BDBM706357

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3ccc(F)cn3)cc2)n2ncc(C3CC3)c2n1

BDBM706358

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3ccccn3)cc2F)n2ncc(C3CC3)c2n1

BDBM706359

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3ccccn3)cn2)n2ncc(C3CC3)c2n1

BDBM706360

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2cc(F)c(-c3ccccn3)cn2)n2ncc(C3CC3)c2n1

BDBM706361

Cc1nccn1-c1ccc(CNc2cc(NC[C@H]3CCNC[C@@H]3O)nc3c(C4CC4)cnn23)cc1

BDBM706362

Cn1cc(-c2ccccn2)nc1CNc1cc(NC[C@H]2CCNC[C@@H]2O)nc2c(C3CC3)cnn12

BDBM706363

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2cn(-c3ccccn3)cn2)n2ncc(C3CC3)c2n1

BDBM706364

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3ccccc3)nc2)n2ncc(C3CC3)c2n1

BDBM706365

COc1cccnc1-c1ccc(CNc2cc(NC[C@H]3CCNC[C@@H]3O)nc3c(C4CC4)cnn23)cc1

BDBM706366

O[C@H]1CNCC[C@@H]1CNc6cc(NCc3ccc(c2ncccc2OC(F)(F)F)cc3)n5ncc(C4CC4)c5n6

BDBM706367

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3ncccn3)cc2)n2ncc(C3CC3)c2n1

BDBM706368

COc1cc(-c2ccccn2)ccc1CNc1cc(NC[C@H]2CCNC[C@@H]2O)nc2c(C3CC3)cnn12

BDBM706369

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3ncco3)cc2)n2ncc(C3CC3)c2n1

BDBM706370

c1ccc(-c2ccc(CNc3cc(NC[C@H]4CNCCO4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706371

c1ccc(-c2ccc(CNc3cc(N4CCOCC4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706372

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3ccccc3)cn2)n2ncc(C3CC3)c2n1

BDBM706373

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3cscn3)cc2)n2ncc(C3CC3)c2n1

BDBM706374

O[C@H]1CNCC[C@@H]1CNc6cc(NCc3ccc(c2ncccc2C(F)(F)F)cc3)n5ncc(C4CC4)c5n6

BDBM706375

c1ccc(-c2ccc(CNc3cc(N[C@H]4CCNC4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706376

c1ccc(-c2ccc(CNc3cc(N4CCNCC4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706377

CN(c1cc(NCc2ccc(-c3ccccn3)cc2)n2ncc(C3CC3)c2n1)C1CCNCC1

BDBM706378

c1ccc(-c2ccc(CNc3cc(NCC4CCNCC4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706379

FC1(F)CNCCC1CNc1cc(NCc2ccc(-c3ccccn3)cc2)n2ncc(C3CC3)c2n1

BDBM706380

c1ccc(-c2ccc(CNc3cc(N4CC5(CCNCC5)C4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706381

c1ccc(-c2ccc(CNc3cc(N[C@@H]4CCNC4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706382

c1ccc(-c2ccc(CNc3cc(N[C@H]4CCCNC4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706383

c1ccc(-c2ccc(CNc3cc(N[C@@H]4CCCNC4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706384

CC(=O)N1CCC(CNc2cc(NCc3ccc(-c4ccccn4)cc3)n3ncc(C4CC4)c3n2)CC1

BDBM706385

c1ccc(-c2ccc(CNc3cc(NC4CNC4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706386

c1ccc(-c2ccc(CNc3cc(NC4CCNCC4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706387

c1ccc(-c2ccc(CNc3cc(OC4CNC4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706388

OC1CCN(c2cc(NCc3ccc(-c4ccccn4)cc3)n3ncc(C4CC4)c3n2)CC1

BDBM706389

O=C1CC(CNc2cc(NCc3ccc(-c4ccccn4)cc3)n3ncc(C4CC4)c3n2)CCN1

BDBM706390

OC1CN(c2cc(NCc3ccc(-c4ccccn4)cc3)n3ncc(C4CC4)c3n2)C1

BDBM706391

CN(C[C@H]1CCNC[C@@H]1O)c1cc(NCc2ccc(-c3ccccn3)cc2)n2ncc(C3CC3)c2n1

BDBM706392

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3nccs3)cc2F)n2ncc(C3CC3)c2n1

BDBM706393

c1ccc(-c2ccc(CNc3cc(OCC4CNC4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706394

NC1CN(c2cc(NCc3ccc(-c4ccccn4)cc3)n3ncc(C4CC4)c3n2)C1

BDBM706395

c1ccc(-c2ccc(CNc3cc(C4CNC4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706396

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3ccccc3)cc2)n2ncc(C3CC3)c2n1

BDBM706397

c1ccc(-c2ccc(CNc3cc(O[C@@H]4CCNC4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706398

c1ccc(-c2ccc(CNc3cc(O[C@@H]4CCCNC4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706399

FC1(CNc2cc(NCc3ccc(-c4ccccn4)cc3)n3ncc(C4CC4)c3n2)CCNCC1

BDBM706400

c1ccc(-c2ccc(CNc3cc(O[C@H]4CCCNC4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706401

c1ccc(-c2ccc(CNc3cc(O[C@H]4CCNC4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706402

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3ccccc3)cc2F)n2ncc(C3CC3)c2n1

BDBM706403

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3ncccn3)cc2F)n2ncc(C3CC3)c2n1

BDBM706404

CCc1cnn2c(NCc3ccc(-c4ccccn4)cc3F)cc(NC[C@H]3CCNC[C@@H]3O)nc12

BDBM706405

CCc1cnn2c(NCc3ccc(-c4ccccc4)cc3F)cc(NC[C@H]3CCNC[C@@H]3O)nc12

BDBM706406

N#Cc1cnn2c(NCc3ccc(-c4ccccc4)cc3F)cc(NC[C@H]3CCNC[C@@H]3O)nc12

BDBM706407

N#Cc1cnn2c(NCc3ccc(-c4ccccc4)cc3F)cc(N[C@H]3CCNC3)nc12

BDBM706408

Fc1cc(-c2ccccn2)ccc1CNc1cc(N[C@H]2CCNC2)nc2c(C3CC3)cnn12

BDBM706409

F[C@@H]1CNC[C@H]1Oc1cc(NCc2ccc(-c3ccccn3)cc2)n2ncc(C3CC3)c2n1

BDBM706410

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3ccccn3)cc2F)n2ncc(Cl)c2n1

BDBM706411

O=C1C[C@H](Nc2cc(NCc3ccc(-c4ccccn4)cc3)n3ncc(C4CC4)c3n2)CN1

BDBM706412

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2c(F)cc(-c3ccccc3)cc2F)n2ncc(C3CC3)c2n1

BDBM706413

c1ccc(-c2ccc(CNc3cc(N4CCNC5(CC5)C4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706414

N[C@H]1CC(=O)N(c2cc(NCc3ccc(-c4ccccn4)cc3)n3ncc(C4CC4)c3n2)C1

BDBM706415

c1ccc(-c2ccc(CNc3cc(-c4ccn[nH]4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706416

c1ccc(-c2ccc(CNc3cc(N4CC5CC(C4)N5)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706417

N#Cc1cnn2c(NCc3ccc(-c4ccccc4)cc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12

BDBM706418

CCc1cnn2c(NCc3ccc(-c4ccccc4)cc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12

BDBM706419

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3ccccc3)cc2)n2ncc(Cl)c2n1

BDBM706420

c1ccc(-c2ccc(CNc3cc(N4CC5(CNC5)C4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706421

N#Cc1cnn2c(NCc3ccc(-c4ccccc4)cc3)cc(N[C@H]3CCNC3)nc12

BDBM706422

N#Cc1cnn2c(NCc3ccc(-c4ccccn4)cc3)cc(N[C@H]3CCNC3)nc12

BDBM706423

CO[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3ccccn3)cc2)n2ncc(C3CC3)c2n1

BDBM706424

C1=C(c2cc(NCc3ccc(-c4ccccn4)cc3)n3ncc(C4CC4)c3n2)CNCC1

BDBM706425

c1cnc(-c2ccc(CNc3cc(N[C@H]4CCCNC4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706426

c1cnc(-c2ccc(CNc3cc(N[C@H]4CCNC4)nc4c(C5CC5)cnn34)cc2)nc1

BDBM706427

c1cnn(-c2ccc(CNc3cc(N[C@H]4CCNC4)nc4c(C5CC5)cnn34)cc2)c1

BDBM706428

N#Cc1cnn2c(NCc3ccc(-c4ccccn4)cc3)cc(N[C@H]3CCCNC3)nc12

BDBM706429

Clc1cnn2c(NCc3ccc(-c4ccccn4)cc3)cc(N[C@H]3CCCNC3)nc12

BDBM50467169

CSc1ncc-2c(CCc3cnc(Nc4ccc(cc4)C(=O)N(C)CCN(C)C)nc-23)n1

BDBM50505743

Cn1cc(cn1)Nc2nc3ccc(nc3c(n2)NC4CCC(CC4)N5CCN(CC5)C(=O)OC)CC#N

BDBM50505741

COC(=O)N1CCN(CC1)C2CCC(CC2)Nc3c4cc(ccc4ncn3)C#N

BDBM50511931

C[C@@H](O)[C@H](C)Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1 |r|

BDBM50519158

Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1

BDBM50526791

Clc1cnc(NC2CCCCC2)nc1-c1c[nH]c2cccnc12

BDBM50526795

CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)[nH]nc2C1(C)C)c1ccccc1 |r|

BDBM50526793

CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3CCCNC3)nc12

BDBM50526798

CC(C)c1cnn2c(NCc3cccc4[nH]ncc34)nc(OC3CCCNC3)nc12

BDBM50526799

CC(C)c1cnn2c(NCc3cccc4n(C)ncc34)nc(OC3CCCNC3)nc12

BDBM50526800

Clc1cnc(N[C@@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|

BDBM50526801

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12 |r|

BDBM50110178

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1

BDBM50526802

CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@H]1CCC[C@](C)(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50526803

CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM5655

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

BDBM50526806

CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1

BDBM50526792

CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12

BDBM50526794

CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1

BDBM50526790

Clc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|

BDBM50526807

CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ccc(NC(=O)c4ccc(NC(=O)C=C)cc4)cc3)n[nH]c2C1(C)C)c1ccccc1 |r|

BDBM50347389

CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCCCCCCN

BDBM50347388

CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r|

BDBM50536675

FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1

BDBM50536681

Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|

BDBM50536678

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F

BDBM50536679

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|

BDBM50539707

CC[C@H](CO)Nc1cc(NCc2ccccc2)n2ncc(C(C)C)c2n1 |r|

BDBM50539708

CC(C)c1cnn2c(NCc3ccccc3F)cc(NCCCCCCN)nc12

BDBM50539709

CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@H](CO)CCCCCCc3cncnc3)nc12 |r|

BDBM50539710

CC(C)c1cnn2c1nc(cc2NCc3ccccc3)N[C@H]4CNC[C@H]4O

BDBM50526805

CC(C)c1cnn2c(NCc3ccccc3)cc(NCC3CCNCC3)nc12

BDBM50526796

CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCCC[C@@H]3O)nc12 |r|

BDBM50539711

CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCCN)nc12

BDBM50539712

CC(C)c1cnn2c(NCc3ccccc3F)cc(NCCCCCCCN)nc12

BDBM50539713

CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)CCCCCN)nc12 |r|

BDBM50539714

CC(C)c1cnn2c(NCc3ccccc3F)cc(N[C@@H](CO)CCCCCN)nc12 |r|

BDBM50539715

CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@@H]3C[C@@H](O)CN3)nc12 |r|

BDBM50539716

CO[C@H]1CN[C@H](CNc2cc(NCc3ccccc3)n3ncc(C(C)C)c3n2)C1 |r|

BDBM50539717

CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H]3CCNC[C@H]3O)nc12 |r|

BDBM50539718

CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@]3(O)CCNC[C@H]3O)nc12 |r|

BDBM50539719

CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@@H](O)CO)nc12 |r|

BDBM50539720

CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cc(C1)cc(NC(=O)c1ccc(NC(=O)C=C)cc1)c3)n2 |t:3|

BDBM50539721

CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r|

BDBM50539722

CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(O[C@H]3CCCNC3)nc12 |r|

BDBM50528813

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50540077

CCn1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO |r|

BDBM50540079

Cn1ncc(c1CC1CC1)-c1nc(N[C@H]2CC[C@H](N)CC2)ncc1F |r,wU:14.15,wD:17.19,(30.75,-4.85,;29.97,-6.19,;28.43,-6.19,;27.96,-7.65,;29.21,-8.55,;30.45,-7.65,;31.94,-8.05,;33.03,-6.96,;34.51,-6.56,;33.42,-5.47,;29.21,-10.1,;30.54,-10.86,;30.54,-12.4,;31.87,-13.17,;33.2,-12.4,;33.2,-10.86,;34.53,-10.1,;35.87,-10.86,;37.2,-10.1,;35.87,-12.4,;34.53,-13.17,;29.21,-13.17,;27.88,-12.41,;27.88,-10.86,;26.54,-10.1,)|

BDBM50540080

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50235342

NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1

BDBM50552452

NC(=O)c1sc(nc1OCCCC1CCN(Cc2ccc(F)cc2)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50235350

C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12

BDBM50235361

NS(=O)(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1

BDBM50553480

C[C@H](CO)Nc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)N)Br

BDBM50511926

C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|

BDBM50553479

COc1cc(F)ccc1-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|

BDBM50553481

CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|

BDBM50363196

CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|

BDBM50528817

CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|

BDBM167699

COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:21|

BDBM354126

COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)|

BDBM50553499

Cn1ncc(c1CC1CC1)-c1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:14.15,wD:17.19,(8.24,3.69,;6.99,4.59,;6.99,6.13,;5.53,6.61,;4.62,5.36,;5.53,4.12,;5.05,2.65,;6.08,1.51,;7.54,1.03,;6.4,,;3.08,5.36,;2.31,6.69,;.77,6.69,;,8.03,;.77,9.36,;,10.7,;.77,12.03,;2.31,12.03,;3.08,13.36,;3.08,10.7,;2.31,9.36,;,5.36,;.77,4.03,;2.31,4.03,;3.08,2.69,)|

BDBM50565105

c1cc2c(nc1)Oc3cc(ccc3N(C2=O)c4ccncc4)NC(=O)Nc5ccc(c(c5)C(F)(F)F)Cl

BDBM50578001

Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2ccccc2)n1

BDBM50578008

Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccccc2)n1 |r|

BDBM50578010

Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccc(F)cc2)n1 |r|

BDBM50578014

Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2cccc(F)c2)n1 |r|

BDBM50578019

Cc1n[nH]c2ccc(cc12)-c1cncc(NC2CCCC(O)C2)n1

BDBM50578021

Cc1n[nH]c2ncc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|

BDBM50578022

Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|

BDBM50553495

COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(4.26,-18.37,;5.59,-17.61,;6.92,-18.38,;8.26,-17.62,;8.26,-16.08,;9.59,-18.39,;10.93,-17.63,;12.26,-18.4,;13.6,-17.63,;13.59,-16.1,;12.26,-15.32,;10.93,-16.09,;14.93,-15.33,;16.26,-16.1,;17.59,-15.33,;18.93,-16.09,;18.93,-17.64,;20.27,-18.41,;17.59,-18.42,;16.26,-17.65,;20.25,-15.32,;20.24,-13.79,;21.57,-13.01,;22.91,-13.77,;22.92,-15.32,;24.25,-16.08,;25.59,-15.31,;26.92,-16.07,;25.58,-16.83,;25.57,-18.36,;26.9,-19.14,;28.24,-18.38,;28.25,-16.84,;28.25,-15.3,;29.58,-14.52,;21.59,-16.09,)|

BDBM167534

COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1

BDBM50588261

COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1)C(=O)N1CCCC1

BDBM50588263

CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1

BDBM50588262

CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCCC2)CC1

BDBM50588264

CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCC2)CC1

BDBM50589846

Nc1ccc(Oc2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)cn1

BDBM50590456

CC(C)n1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO |r|

BDBM50139171

CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|

BDBM50590457

Cn1cc(ccc1=O)-c1ccc(cc1)N(C1CCC(CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |(10.66,-3.08,;9.33,-3.85,;8,-3.08,;6.66,-3.85,;6.66,-5.39,;8,-6.16,;9.33,-5.39,;10.66,-6.16,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;1.33,-.77,;0,-1.54,;0,-3.08,;-1.33,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-4,-3.85,;-5.33,-3.08,;-5.33,-1.53,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-6.67,-3.85,;-9.33,-.77,;-10.66,0,;1.33,.77,;0,1.54,;2.67,1.54,;2.67,3.08,;4,3.85,;4,5.39,;5.33,6.16,;6.67,5.39,;6.67,3.86,;5.34,3.08,)|

BDBM50591706

C[C@H]1C[C@@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O |r|

BDBM50593925

CN(C)\C=C\CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2cc3ccccc3[nH]2)c1

BDBM50593926

CN(C)\C=C\CC(=O)Nc1ccc(nc1)C(=O)N[C@@]1(C)CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50595929

CC(C)c1[nH]n(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCO)cc3)nc(=O)c12 |(-4.67,-4.75,;-5.7,-3.6,;-7.21,-3.92,;-5.23,-2.14,;-6.13,-.89,;-5.23,.35,;-5.7,1.82,;-4.67,2.96,;-3.17,2.64,;-5.15,4.43,;-6.66,4.75,;-7.69,3.6,;-7.21,2.14,;-8.24,.99,;-3.76,-.12,;-2.43,.65,;-1.1,-.12,;.24,.65,;1.57,-.12,;1.57,-1.66,;2.91,-2.43,;4.24,-1.66,;5.57,-2.43,;6.91,-1.66,;6.91,-.12,;8.24,.65,;4.24,-.12,;2.91,.65,;-1.1,-1.66,;-2.43,-2.43,;-2.43,-3.97,;-3.76,-1.66,)|

BDBM12621

COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F

BDBM50600027

Nc1nc(N[C@H]2CC3CCC2C3)sc1C(=O)c1ccccc1[N+]([O-])=O |r|

BDBM50528812

CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@@]1(C)CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50179207

COc1cc2Cc3c(Nc4cccc(F)c4)[nH]nc3-c2cc1OC

BDBM50603977

COc1cc(F)ccc1-c1cnc2sc(nn12)N1CCC(C)(N)CC1

BDBM50603992

CC(C)(N)CNc1nn2c(cnc2s1)-c1ccc(F)cc1F

BDBM50186374

Cc1cnc(OC2CCCCC2)nc1-c1cnc(Nc2ccccn2)s1

BDBM50186375

CN1CCN(Cc2cnc(Nc3ncc(s3)-c3cc(C)nc(OC4CCCCC4)n3)cn2)CC1

BDBM50186376

Cc1cc(nc(OC2CCCCC2)n1)-c1cnc(Nc2ccccn2)s1

BDBM50186373

C1CCC(CC1)Oc1nccc(n1)-c1cnc(Nc2ccccn2)s1

BDBM50404387

C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)[S@](=N)(=O)C2CC2)ncc1C(F)(F)F |r|

BDBM50056163

CC[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

BDBM106950

CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|

BDBM27344

O=C1NCCc2[nH]c(cc12)-c1ccncc1

BDBM50013510

COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1

BDBM126500

COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-.44,.14,;-4.44,-.63,)|

BDBM50593922

CCC(CC)c1cc(n2c(n1)ccn2)N[C@H]3CC[C@@H](C3)N

BDBM50404389

CCCc1cc(N[C@@H]2CC[C@@H](N)C2)n2nccc2n1 |r|

BDBM50443280

CC(C)(C)c1coc(CSc2cnc(NC(=O)C3CCNCC3)s2)n1

BDBM50378657

CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C

BDBM100152

COc1ccc2c(c1)[nH]c1c(C)nccc21

BDBM50609477

O=C(Nc1n[nH]c2ccc(cc12)-c1cccnc1)c1ccccc1

BDBM50609478

Oc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1

BDBM50609479

Cc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1

BDBM50609480

COc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1

BDBM50609481

CNC(=O)c1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1

BDBM50609482

NCCOc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1

BDBM50609483

OCCNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1

BDBM50609484

NCCNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1

BDBM50609485

NCC(=O)Nc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1

BDBM50609486

N[C@H](COc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)Cc1ccccc1 |r|

BDBM50609487

N[C@@H](COc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)Cc1ccccc1 |r|

BDBM50609488

N[C@H](COc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|

BDBM50609489

N[C@@H](COc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|

BDBM50609490

O[C@@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|

BDBM50609491

O[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|

BDBM50609492

OC[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|

BDBM50609493

OC[C@@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|

BDBM50609494

OC[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)Cc1ccccc1 |r|

BDBM50609495

OC[C@@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)Cc1ccccc1 |r|

BDBM50609496

NC[C@@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|

BDBM50609497

N[C@@H](Cc1ccccc1)C(=O)Nc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1 |r|

BDBM50609498

N[C@H](Cc1ccccc1)C(=O)Nc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1 |r|

BDBM50609499

N[C@H](C(=O)Nc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1ccccc1 |r|

BDBM50609500

O[C@@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1)c1ccccc1 |r|

BDBM50609501

O[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1)c1ccccc1 |r|

BDBM50609502

OC[C@@H](Nc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1)c1ccccc1 |r|

BDBM50609503

OC[C@H](Cc1ccccc1)Nc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1 |r|

BDBM50609504

N[C@@H](Cc1ccccc1)C(=O)Nc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1 |r|

BDBM50609505

N[C@H](C(=O)Nc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1)c1ccccc1 |r|

BDBM50625574

CN(C)C\C=C\C(O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1

BDBM50625575

CCc1cnn2c(NCc3nc4ccc(F)c(F)c4[nH]3)cc(nc12)N1CCCC[C@H]1CCO |r|

BDBM50631617

COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

BDBM50635502

CCC(=O)Nc1ccc(CNc2nc(NC3CCOCC3)nc3c(C(C)C)cnn23)cc1

BDBM50635508

CC(C)c1cnn2c(NCc3ccc(NC(=O)C4(F)CC4)cc3)nc(NC3CCOCC3)nc12

BDBM31100

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

BDBM50639226

CC(C)N1CCN(C(=O)c2ccnc(Nc3cc(-c4ccc5nnn(C(C)C)c5c4)ccn3)c2)CC1

BDBM50639228

CC(C)n1nnc2ccc(-c3ccnc(Nc4cc(C(=O)N5CCCC5)ccn4)c3)cc21

BDBM50639229

CC(C)n1nnc2ccc(-c3ccnc(Nc4cc(C(=O)N5CCCN(C)CC5)ccn4)c3)cc21

BDBM50425008

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1C#N

BDBM50466210

COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3(CCOCC3)C#N)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(30.42,-38.05,;31.76,-37.28,;33.09,-38.05,;34.43,-37.28,;35.76,-38.05,;37.09,-37.28,;38.42,-38.05,;39.76,-37.28,;39.76,-35.74,;38.42,-34.97,;37.09,-35.74,;41.09,-34.97,;42.43,-35.74,;43.76,-34.97,;45.09,-35.74,;46.42,-34.97,;46.59,-33.43,;48.1,-33.12,;48.87,-34.45,;50.4,-34.45,;51.18,-35.78,;52.72,-35.77,;53.48,-37.11,;55.02,-37.11,;55.79,-35.77,;55.02,-34.44,;53.47,-34.43,;51.94,-37.1,;51.16,-38.43,;47.83,-35.59,;45.09,-37.28,;46.42,-38.05,;43.76,-38.05,;42.43,-37.28,)|

BDBM50646796

COc1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl

BDBM50646797

CNC(=O)c1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl

BDBM50646798

CP(C)(=O)c1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl

BDBM50646799

CS(=O)(=O)c1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl

BDBM50646800

N[C@H]1CC[C@H](Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C3CC3)n2)CC1

BDBM50646801

CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl

BDBM50646802

N[C@H]1CC[C@H](Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)c3ccccc3)n2)CC1

BDBM50646803

N[C@H]1CC[C@H](Nc2ncc(Cl)c(Nc3ccccc3[S+]([O-])c3ccccc3)n2)CC1

BDBM50646804

CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1F

BDBM50646805

CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1Br

BDBM50646806

CC(C)S(=O)(=O)c1ccccc1Nc1ccnc(N[C@H]2CC[C@H](N)CC2)n1

BDBM50646807

Cc1cnc(N[C@H]2CC[C@H](N)CC2)nc1Nc1ccccc1S(=O)(=O)C(C)C

BDBM50646808

COc1cnc(N[C@H]2CC[C@H](N)CC2)nc1Nc1ccccc1S(=O)(=O)C(C)C

BDBM50646809

CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1C1CC1

BDBM50646810

CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1-c1ccccc1

BDBM50646811

CC(C)S(=O)(=O)c1ccccc1Nc1nc([C@H]2CC[C@@H](N)CC2)ncc1Cl

BDBM50646812

CC(C)S(=O)(=O)c1ccccc1Nc1nc([C@@H]2CCC[C@H](N)C2)ncc1Cl

BDBM50646813

CC(C)S(=O)(=O)c1ccccc1Nc1nc([C@H]2CC[C@H](O)CC2)ncc1Cl

BDBM50646814

CC(C)S(=O)(=O)c1ccccc1Nc1nc([C@H]2CC[C@H](N(C)C)CC2)ncc1Cl

BDBM50646815

CC(C)S(=O)(=O)c1ccccc1Nc1nc([C@H]2CC[C@H](N3CCC3)CC2)ncc1Cl

BDBM50646816

CC(C)S(=O)(=O)c1ccccc1Nc1nc([C@H]2CC[C@H](N3CCCCC3)CC2)ncc1Cl

BDBM50646817

CC(=O)N[C@H]1CC[C@H](c2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)CC1

BDBM50646818

CC(C)S(=O)(=O)c1ccccc1Nc1nc(C2CCNCC2)ncc1Cl

BDBM50646819

CC(C)S(=O)(=O)c1ccccc1Nc1nc(C2CCN(S(C)(=O)=O)CC2)ncc1Cl

BDBM50648015

N#CC1(CNc2cccc(-c3cc(Nc4cnn(CCCCCCC(=O)NO)c4)ncc3Cl)n2)CCOCC1

BDBM50648016

N#CC1(CNc2cccc(-c3cc(Nc4cnn(CCCCCC(=O)NO)c4)ncc3Cl)n2)CCOCC1

BDBM50648017

N#CC1(CNc2cccc(-c3cc(Nc4cnn(Cc5ccc(C(=O)NO)cc5)c4)ncc3Cl)n2)CCOCC1

BDBM50648018

N#CC1(CNc2cccc(-c3cc(Nc4cnn(CCCCCCC(=O)Nc5ccccc5N)c4)ncc3Cl)n2)CCOCC1

BDBM50648028

COc1cc(F)ccc1-c1cc(Nc2cnn(CCCCCCC(=O)NO)c2)ncc1F

BDBM50648029

COc1cc(F)ccc1-c1cc(Nc2cnn(CCCCCC(=O)NO)c2)ncc1F

BDBM50648030

COc1cc(F)ccc1-c1cc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)ncc1F

BDBM50648033

COc1cc(F)ccc1-c1cc(Nc2ccc(NC(=O)CCCCCCC(=O)Nc3ccccc3N)cc2)ncc1F

BDBM50648034

O=C(CCCCCCn1cc(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)cn1)NO

BDBM50648035

O=C(CCCCCn1cc(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)cn1)NO

BDBM50648036

CCCNNC(=O)CCCCCCn1cc(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)cn1

BDBM50648037

CCCNNC(=O)CCCCCn1cc(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)cn1

BDBM50648038

CCCNNC(=O)c1ccc(Cn2cc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)cn2)cc1

BDBM50648039

CCCNNC(=O)c1ccc(Cn2cc(Nc3ncc(Cl)c(-c4cnc5ccc(-c6ccccc6)cn45)n3)cn2)cc1

BDBM50648040

CCCNNC(=O)CCCCCn1cc(Nc2ncc(Cl)c(-c3cnc4ccc(-c5ccccc5)cn34)n2)cn1

BDBM50652116

CC(C)n1cnc2c(NCc3ccccc3)nc(N3CCC(C4CCN(CCO)CC4)CC3)nc21

BDBM50652117

CC(C)n1cnc2c(NCc3ccccn3)nc(N3CCC(C4CCN(CCO)CC4)CC3)nc21

BDBM50652118

CC(C)n1cnc2c(NCc3ccc(F)c(F)c3)nc(N3CCC(C4CCN(CCO)CC4)CC3)nc21

BDBM50652119

OCCN1CCC(C2CCN(c3nc(NCc4cccc(F)c4F)c4ncn(C5CCCC5)c4n3)CC2)CC1

BDBM50652120

OCCN1CCC(C2CCN(c3nc(NCc4ccc(Cl)c(F)c4)c4ncn(C5CCCC5)c4n3)CC2)CC1

BDBM50652121

OCCN1CCC(C2CCN(c3nc(NCc4ccc(F)c(Cl)c4)c4ncn(CC5CC5)c4n3)CC2)CC1

BDBM50652793

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12

BDBM50652792

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C

BDBM50337134

CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O

BDBM101618

Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C

BDBM412136

Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12

BDBM50269948

CS(=O)(=O)c1cccc(c1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F

BDBM50246466

C[C@@H]1CNC[C@@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|

BDBM50293174

CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](N)CC3)s2)o1 |r,wU:18.18,wD:15.14,(8.72,-8.28,;10.22,-8.69,;10.66,-7.21,;9.78,-10.17,;11.68,-9.16,;12.15,-10.63,;13.7,-10.63,;14.18,-9.16,;15.64,-8.69,;16.79,-9.72,;18.25,-9.25,;19.5,-10.16,;20.74,-9.25,;20.27,-7.78,;21.18,-6.54,;22.71,-6.53,;23.48,-7.86,;25.01,-7.86,;25.78,-6.53,;27.32,-6.53,;25.01,-5.2,;23.47,-5.2,;18.73,-7.78,;12.93,-8.25,)|

BDBM41575

COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1

BDBM50277583

Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM50319626

Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)n1

BDBM50319627

CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1

BDBM50319615

CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)n1

BDBM50319616

CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1

BDBM50319617

CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM50319618

CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM50319619

Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM50319620

CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(CNC(C)=O)cc2)n1

BDBM50319621

CCNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1

BDBM50319622

CNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1

BDBM50319623

COc1cc(Nc2nccc(n2)-c2sc(C)nc2C)cc(OC)c1OC

BDBM50319624

Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(N)cc2)n1

BDBM50319625

CNc1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1

BDBM8066

CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1

BDBM50229973

Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1

BDBM50308060

C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O

BDBM50326053

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC

BDBM50300690

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

BDBM50326054

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

BDBM13535

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

BDBM50026612

CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5

BDBM2579

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM482158

CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl

BDBM50355494

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

BDBM32362

COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N

BDBM4779

C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F

BDBM13534

CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

BDBM13533

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

BDBM25028

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

BDBM50322823

CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F

BDBM5446

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

BDBM36409

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

BDBM31088

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

BDBM26474

CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

BDBM24773

CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C

BDBM25617

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

BDBM4552

CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC

BDBM50331096

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

BDBM15138

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

BDBM5447

COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

BDBM25628

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

BDBM50355497

Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO

BDBM5445

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

BDBM50306682

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM50355501

c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4

BDBM50242737

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

BDBM50355500

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

BDBM31093

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

BDBM50161957

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

BDBM6568

CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl

BDBM13216

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

BDBM50193995

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

BDBM25084

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

BDBM50332294

Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4

BDBM15244

c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl

BDBM50184807

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

BDBM50355496

O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1

BDBM25013

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM50128285

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

BDBM13336

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM60665

CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C

BDBM27817

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

BDBM50309910

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM21

CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br

BDBM13530

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

BDBM50355499

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

BDBM25121

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

BDBM24654

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

BDBM50355504

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

BDBM25117

CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4

BDBM50355495

Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C

BDBM50237710

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

BDBM50132260

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

BDBM17055

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

BDBM50224883

Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3

BDBM31340

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

BDBM31090

CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F

BDBM13531

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM50110208

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

BDBM50312990

Cn1cc(c2c1ccc(c2)F)C3=C(C(=O)NC3=O)c4cccc(c4)NC[C@@H](CO)O

BDBM50379623

C1CN(CCO1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)-c2cccnc2)c1

BDBM50379624

FC(F)(F)CNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1

BDBM50379625

O=C(CN1CCN(CC1)c1ccnc(Nc2ncc(s2)-c2cccnc2)c1)N1CCOCC1

BDBM50379626

Cc1ccc(cn1)-c1cnc(Nc2cccc(NCCCN)n2)s1

BDBM50379627

C1CN(CCN1)c1cccc(Nc2ncc(s2)-c2ccccc2)n1

BDBM50379621

Cc1ccc(cn1)-c1cnc(Nc2cccc(n2)N2CCNCC2)s1

BDBM50379628

Cc1ccc(cn1)-c1cnc(Nc2cc(ccn2)N2CCNCC2)s1

BDBM50379629

C1CN(CCN1)c1ccnc(Nc2ncc(s2)-c2cncnc2)c1

BDBM50379630

C1CN(CCN1)c1cccc(Nc2ncc(s2)-c2cncnc2)n1

BDBM50379631

Brc1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCNCC2)s1

BDBM50379632

C1CN(CCN1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)-c2cn[nH]c2)c1

BDBM50379633

C1CN(CCO1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)-c2cncnc2)c1

BDBM50379634

C1CN(CCO1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)-n2ccnn2)c1

BDBM50379635

Cn1cc(cn1)-c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCNCC2)s1

BDBM50379636

C1CN(CCN1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)-c2cccnc2)c1

BDBM50379637

OC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCNCC2)s1

BDBM50379638

NC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1

BDBM50379639

Cc1ccc(NC(=O)c2cncc(c2)-c2cnc(Nc3cc(ccn3)N3CCOCC3)s2)s1

BDBM50379640

CNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1

BDBM50379641

NCCNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1

BDBM50379642

CS(=O)(=O)N1CCN(CC1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)C(=O)NCCN)c1

BDBM50379643

CC(=O)N1CCN(CC1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)C(=O)NCCN)c1

BDBM50379644

NCCNC(=O)c1cncc(c1)-c1cnc(Nc2cc(Cl)ccn2)s1

BDBM50379622

NCCNC(=O)c1cncc(c1)-c1cnc(Nc2ncccc2Cl)s1

BDBM50379645

Cc1cccnc1Nc1ncc(s1)-c1cncc(c1)C(=O)NCCN

BDBM50379646

NCCNC(=O)c1cccc(c1)-c1cnc(Nc2cc(ccn2)N2CCC(F)(F)CC2)s1

BDBM50379647

NCCCCc1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1

BDBM50379648

NCCNC(=O)c1cncc(c1)-c1cnc(Nc2ccccc2Cl)s1

BDBM50379649

OCCNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1

BDBM50379650

CS(=O)(=O)N1CCN(CC1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)C(=O)NCC(F)(F)F)c1

BDBM50379651

NCNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCC(F)CC2)s1

BDBM50379652

NCNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCC(F)(F)CC2)s1

BDBM50393109

Nc1nc2c(nccc2[nH]1)-c1ccccn1

BDBM50321461

Clc1cc(c(Cl)s1)S(=O)(=O)N(C(=O)CBr)c1ccccc1

BDBM50401152

CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1

BDBM50392982

COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

BDBM50440018

CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|

BDBM50440135

COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1

BDBM50440136

COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1

BDBM50440137

COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1

BDBM50440138

COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1

BDBM50440139

COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1

BDBM12116

N#Cc1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1

BDBM50086441

CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12

BDBM50118210

CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)C(O)=O

BDBM50118212

CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)C#N

BDBM50118224

CN(\N=C\c1cnn2ccc(C)nc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O

BDBM50118236

COc1ccc(cc1OC)-c1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2n1

BDBM50118241

CN(\N=C\c1cnn2ccc(nc12)-c1cccnc1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O

BDBM50118259

COc1ccc(cn1)-c1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2n1

BDBM50118334

CN(\N=C\c1cnn2ccc(nc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O

BDBM50118344

CN(CCc1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)C#N

BDBM50118345

Cc1ccc(cc1S(=O)(=O)n1cc(cn1)-c1cnn2ccc(Cl)nc12)[N+]([O-])=O

BDBM50118346

CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O

BDBM50118347

CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1ccccc1

BDBM50118350

CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1ccccc1C

BDBM50118352

CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cccc(c1)[N+]([O-])=O

BDBM50118353

CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cccc(C)c1

BDBM50118354

COc1cccc(c1)S(=O)(=O)N(C)\N=C\c1cnn2ccc(Cl)nc12

BDBM50118356

CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cccc(OC(F)(F)F)c1

BDBM50118357

CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cccc(c1)C#N

BDBM50118361

CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O

BDBM50118362

CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1ccc(F)cc1

BDBM50118364

CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cccnc1

BDBM50118365

CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1ccc[n+]([O-])c1

BDBM50118366

CN(\N=C\c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cc(Br)ccc1C

BDBM50123803

CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

BDBM6309

CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C

BDBM50154932

CC(O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1

BDBM50184466

CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1

BDBM50184461

C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|

BDBM25036

Cc1ccc(cc1S(=O)(=O)N(C)/N=C/c2cnc3n2cc(cc3)Br)[N+](=O)[O-]

BDBM50235816

CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12

BDBM50235820

FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12

BDBM50235830

CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1

BDBM50235833

Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5

BDBM50235817

FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12