SMILES for LIM domain kinase 2

CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)|

BDBM50124355

CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccc(C)cc1Cl

BDBM50591091

CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50043551

CC(C)N1CCC(CN(C)C(=O)c2ccc(cc2)S(=O)(=O)Nc2ccccc2)CC1

BDBM50299618

CC(C)NC(=O)c1cccc(NC(=O)N2CCN(C[C@@H]2C)c2ncnc3[nH]cc(C)c23)c1 |r|

BDBM50299617

CC(C)NC(=O)c1cccc(c1)N=C(NC#N)N1CCN(C[C@@H]1C)c1ncnc2[nH]cc(C)c12 |r,w:12.12|

BDBM50299623

CC(C)NS(=O)(=O)c1cccc(c1)N=C(NC#N)N1CCN(C[C@@H]1C)c1ncnc2[nH]cc(C)c12 |r,w:13.13|

BDBM50327391

CC(C)Nc1ncc(s1)-c1cc(nc(NCCN(C)C)n1)-c1ccccc1Cl

BDBM50327390

CC(C)Nc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1Cl

BDBM50117634

CC(C)OC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50044015

CC(C)Oc1cccc(NC(=O)C2CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50299601

CC(C)[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:13.14|

BDBM36409

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

BDBM24773

CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12

BDBM622473

CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)NCCCOc3cccc(c3)-c3cccc(NC(=O)N4CCC(=CC4)c4ncnc5[nH]c6CCCc6c45)c3)n1[B-]2(F)F |c:4,40,t:1,7|

BDBM622476

CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)NCCCOc3cccc(c3)-c3cccc(NC(=O)N4CCC(=CC4)c4ncnc5[nH]cc(C)c45)c3)n1[B-]2(F)F |c:4,40,t:1,7|

BDBM622474

CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)NCCCOc3cccc(c3)-c3cccc(NC(=O)N4CCC(=CC4)c4ncnc5[nH]cc(C6CC6)c45)c3)n1[B-]2(F)F |c:4,40,t:1,7|

BDBM622408

CC1C=C(CCN1C(=O)Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |c:2|

BDBM622407

CC1C=C(CCN1C(=O)Nc1cccc(Cl)c1)c1ncnc2[nH]cc(C)c12 |c:2|

BDBM622406

CC1C=C(CCN1C(=O)Nc1cccc(F)c1)c1ncnc2[nH]cc(C)c12 |c:2|

BDBM622411

CC1CC(=CC(C)N1C(=O)Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |c:3|

BDBM622410

CC1CC(=CC(C)N1C(=O)Nc1cccc(Cl)c1)c1ncnc2[nH]cc(C)c12 |c:3|

BDBM622409

CC1CC(=CC(C)N1C(=O)Nc1cccc(F)c1)c1ncnc2[nH]cc(C)c12 |c:3|

BDBM622414

CC1CC(=CC(C)N1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |c:3|

BDBM622412

CC1CC(=CC(C)N1C(=O)Nc1cccc(Oc2ccccc2)c1)c1ncnc2[nH]cc(C)c12 |c:3|

BDBM50299606

CC1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]ccc12 |w:11.12|

BDBM50117633

CCC(C)OC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50390788

CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)C(C)C)s1

BDBM50390789

CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)NC)s1

BDBM50390786

CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)OC)s1

BDBM50390787

CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1

BDBM50390776

CCCCCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NCCC)s1

BDBM50591082

CCCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50591084

CCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(Cl)c1

BDBM50390782

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC(CC)CC)cc1Cl

BDBM50390779

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl

BDBM50390781

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC2CCCC2)cc1Cl

BDBM50390780

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OCCC)cc1Cl

BDBM50390783

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OC)ccc1Cl

BDBM50390784

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC)ccc1Cl

BDBM50390785

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC2CCCCC2)ccc1Cl

BDBM50390774

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(O)cc1Cl

BDBM50390796

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC(CC)CC)cc1C

BDBM50390777

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC(CC)CC)cc1Cl

BDBM50390775

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC)cc1Cl

BDBM50390778

CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC2CCCC2)cc1Cl

BDBM50117635

CCCOC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM25617

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

BDBM4814

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

BDBM26300

CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1

BDBM50043510

CCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM31085

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

BDBM50390791

CCNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C

BDBM31090

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

BDBM50161957

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

BDBM7533

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

BDBM25121

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

BDBM50043618

CCc1ccc(CN(C)C(=O)c2ccc(cc2)S(=O)(=O)Nc2ccccc2)cc1

BDBM50466806

CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1

BDBM622452

CCc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:13|

BDBM622391

CCc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:13|

BDBM25013

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

BDBM50112355

CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O

BDBM622454

CN(C)C(=O)Nc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:17|

BDBM50044009

CN(C)C(=O)Oc1cccc(NC(=O)C2(C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50044010

CN(C)C(=O)Oc1cccc(NC(=O)C2(CC=C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50044007

CN(C)C(=O)Oc1cccc(NC(=O)C2(CCN(CC2)c2ncnc3[nH]cc(C)c23)N(C)C)c1

BDBM50044004

CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50044006

CN(C)C(=O)Oc1cccc(NC(=O)C2(Cc3c[nH]cn3)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50044008

CN(C)C(=O)Oc1cccc(NC(=O)C2(O)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM622432

CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c(C)c(C)c23)c1 |c:17|

BDBM622445

CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:17|

BDBM622393

CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:17|

BDBM622419

CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:17|

BDBM50044018

CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50044017

CN(C)C(=O)Oc1cccc(NC(=O)N2CCN(CC2C(C)(C)C)c2ncnc3[nH]cc(C)c23)c1

BDBM622493

CN(C)C(=O)Oc1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)c1 |c:23|

BDBM622457

CN(C)C(=O)c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:16|

BDBM50355499

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

BDBM50117500

CN(C)CC1(CCN(CC1)c1ncnc2[nH]c(C)c(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1

BDBM50117370

CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1

BDBM50117632

CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(c1)C(=O)OCC#C

BDBM50044005

CN(C)CCC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1

BDBM50043484

CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM17055

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

BDBM50322823

CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|

BDBM622455

CN(C)Cc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:15|

BDBM622405

CN(C)c1ccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)cc1 |c:19|

BDBM50519662

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

BDBM50043620

CN(C)c1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)N(C)Cc2ccccc2)c1

BDBM622478

CN(C)c1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)c1 |c:20|

BDBM50043554

CN(CC1CCN(C)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50043609

CN(CC1CCN(CC1)C(=O)OC(C)(C)C)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50043613

CN(CC1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50043562

CN(CC1CCNCC1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50043616

CN(Cc1ccc(CCC(O)=O)cc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50043615

CN(Cc1ccc(cc1)C(O)CO)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50043614

CN(Cc1ccc(cc1)C1CCNCC1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50043632

CN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1

BDBM50043619

CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)N(C)c1ccccc1

BDBM50043627

CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(C)cc1

BDBM50043628

CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)cc1

BDBM50043623

CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(C)c1

BDBM50043624

CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(Cl)c1

BDBM50043625

CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(F)c1

BDBM50043621

CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C)(C)C

BDBM50043416

CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50043630

CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1C

BDBM50043631

CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1F

BDBM26474

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

BDBM622483

CN1CCC(COc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)CC1 |c:18|

BDBM13534

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

BDBM25118

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

BDBM622480

CN1CCN(CCCOc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)CC1 |c:20|

BDBM622479

CN1CCN(CCOc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)CC1 |c:19|

BDBM50355495

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1

BDBM13530

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

BDBM5655

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

BDBM622469

CN1CCc2[nH]c3ncnc(C4=CCN(CC4)C(=O)Nc4cccc(Br)c4)c3c2C1 |t:11|

BDBM622468

CN1CCc2[nH]c3ncnc(C4=CCN(CC4)C(=O)Nc4cccc(Cl)c4)c3c2C1 |t:11|

BDBM622467

CN1CCc2[nH]c3ncnc(C4=CCN(CC4)C(=O)Nc4cccc(F)c4)c3c2C1 |t:11|

BDBM50591314

CN1c2ccc(Cl)cc2OC[C@H](N2CCc3c(nn(Cc4ccccc4)c3C(N)=O)C2=O)C1=O |r|

BDBM50390790

CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C

BDBM50390794

CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl

BDBM27817

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

BDBM622484

CNC(=O)c1cc(Oc2ccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)cc2)ccn1 |c:18|

BDBM16673

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

BDBM622485

CNC(=O)c1cc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)ccn1 |c:19|

BDBM622456

CNC(=O)c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:15|

BDBM622495

CNC(=O)c1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)c1 |c:21|

BDBM25117

CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1

BDBM2579

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

BDBM50117301

COC(=O)COc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50117300

COC(=O)Cc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50390793

COC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C

BDBM50117299

COC(=O)c1ccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)cc1

BDBM50026612

COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1

BDBM50117302

COC(=O)c1cccc(NC(=O)C2(CCN(CC2)c2ncnc3[nH]cc(C)c23)N(C)C)c1

BDBM50117629

COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ccnc3[nH]ncc23)c1

BDBM50117628

COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3NC(=O)Cc23)c1

BDBM50117501

COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)c(C)c23)c1

BDBM50117502

COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)cc23)c1

BDBM50117504

COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C#N)c23)c1

BDBM50117315

COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50117503

COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(F)c23)c1

BDBM50117631

COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ccc23)c1

BDBM50117630

COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ncc23)c1

BDBM50117489

COC(=O)c1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50117625

COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(N)ncn2)c1

BDBM50117581

COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(NC(C)=O)ncn2)c1

BDBM50117598

COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(N)n2)c1

BDBM50117505

COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(NC(C)=O)n2)c1

BDBM50117626

COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccncn2)c1

BDBM50117303

COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50117627

COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]ccc23)c1

BDBM31340

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

BDBM50044003

COCCOCC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1

BDBM5446

COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

BDBM50043617

COCCOc1ccc(CN(C)C(=O)c2ccc(cc2)S(=O)(=O)Nc2ccccc2)cc1

BDBM622458

COCOCc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:16|

BDBM50326053

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

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|

BDBM50366492

COc1c(C=O)c(O)cc2C(=O)c3ccccc3C(=O)c12

BDBM50309910

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

BDBM50390792

COc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1

BDBM50390795

COc1cc(Cl)c(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1

BDBM4552

COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl

BDBM60665

COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC

BDBM50355494

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

BDBM482158

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1

BDBM21

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1

BDBM50355504

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

BDBM50331096

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

BDBM13535

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

BDBM5447

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

BDBM50124353

COc1ccc(-c2cnccc2-c2cnc(NC(=O)C(C)C)s2)c(c1)C(F)(F)F

BDBM32362

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

BDBM12621

COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N

BDBM50299592

COc1ccc(NC(=O)C2CCN(CC2)c2ncnc3[nH]cc(C)c23)cc1

BDBM50043626

COc1ccc(NS(=O)(=O)c2ccc(cc2)C(=O)N(C)Cc2ccccc2)cc1

BDBM622431

COc1ccc(cc1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c(C)c(C)c23)c1 |c:20|

BDBM622459

COc1ccc(cc1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:20|

BDBM622399

COc1ccc(cc1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:20|

BDBM622422

COc1ccc(cc1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:20|

BDBM50299591

COc1cccc(NC(=O)C2CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM622429

COc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c(C)c(C)c23)c1 |c:13|

BDBM622444

COc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:13|

BDBM622380

COc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:13|

BDBM50299596

COc1cccc(NC(=O)N2CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

BDBM50044087

COc1cccc(NC(=O)N2CCN(C[C@@H]2C)c2ncnc3[nH]cc(C)c23)c1 |r|

BDBM50043622

COc1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)N(C)Cc2ccccc2)c1

BDBM622396

COc1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)c1 |c:19|

BDBM622425

COc1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C5CC5)c34)c2)c1 |c:19|

BDBM622460

COc1cccc(c1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:20|

BDBM622398

COc1cccc(c1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:20|

BDBM622421

COc1cccc(c1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:20|

BDBM50597496

COc1cccc(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccncc1F |r|

BDBM622397

COc1ccccc1-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:20|

BDBM622420

COc1ccccc1-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:20|

BDBM50043629

COc1ccccc1NS(=O)(=O)c1ccc(cc1)C(=O)N(C)Cc1ccccc1

BDBM50513866

COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F

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,)|

BDBM5445

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

BDBM25028

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

BDBM13336

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

BDBM6568

CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|

BDBM50043524

C[C@@H](N(C)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1)c1ccccc1 |r|

BDBM50044082

C[C@@H](NC(=O)N1CCN(C[C@@H]1C)c1ncnc2[nH]cc(C)c12)c1ccccc1 |r|

BDBM50184807

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

BDBM50306682

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

BDBM50355500

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

BDBM50193995

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

BDBM50299600

C[C@@H]1CN(CCN1C(=O)Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r|

BDBM50044013

C[C@@H]1CN(CC[C@@H]1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r|

BDBM50043543

C[C@H](N(C)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1)c1ccccc1 |r|

BDBM50044083

C[C@H](NC(=O)N1CCN(C[C@@H]1C)c1ncnc2[nH]cc(C)c12)c1ccccc1 |r|

BDBM50343725

C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cc1 |r|

BDBM50044085

C[C@H]1CN(CCN1C(=O)Cc1ccccc1)c1ncnc2[nH]cc(C)c12 |r|

BDBM50299585

C[C@H]1CN(CCN1C(=O)Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12 |r|

BDBM50299599

C[C@H]1CN(CCN1C(=O)Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r|

BDBM50299612

C[C@H]1CN(CCN1C(=O)Nc1cccc(Cl)c1)c1ncnc2[nH]cc(C)c12 |r|

BDBM50299586

C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r|

BDBM50299621

C[C@H]1CN(CCN1C(=O)Nc1cccc(c1)C(=O)NC(CO)CO)c1ncnc2[nH]cc(C)c12 |r|

BDBM50299620

C[C@H]1CN(CCN1C(=O)Nc1cccc(c1)C(=O)NCCO)c1ncnc2[nH]cc(C)c12 |r|

BDBM50044086

C[C@H]1CN(CCN1C(=O)Nc1ccccc1)c1ncnc2[nH]cc(C)c12 |r|

BDBM50299584

C[C@H]1CN(CCN1C(NC#N)=Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:11.12|

BDBM50299609

C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1nc(Cl)nc2[nH]ccc12 |r,w:11.12|

BDBM50299608

C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]c(C)cc12 |r,w:11.12|

BDBM50299583

C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:11.12|

BDBM50299607

C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(Cl)c12 |r,w:11.12|

BDBM50299611

C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Cl)c1)c1ncnc2[nH]cc(C)c12 |r,w:11.12|

BDBM50299613

C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(F)c1)c1ncnc2[nH]cc(C)c12 |r,w:11.12|

BDBM50299615

C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)C#N)c1ncnc2[nH]cc(C)c12 |r,w:11.12|

BDBM50299622

C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)C(=O)NCCN(C)C)c1ncnc2[nH]cc(C)c12 |r,w:11.12|

BDBM50299619

C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)C(=O)NCCO)c1ncnc2[nH]cc(C)c12 |r,w:11.12|

BDBM50299616

C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)C(C)(C)C)c1ncnc2[nH]cc(C)c12 |r,w:11.12|

BDBM50299614

C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)C(F)(F)F)c1ncnc2[nH]cc(C)c12 |r,w:11.12|

BDBM50299624

C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)S(=O)(=O)NCCO)c1ncnc2[nH]cc(C)c12 |r,w:11.12|

BDBM50299610

C[C@H]1CN(CCN1C(NS(C)(=O)=O)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:13.14|

BDBM50044014

C[C@H]1CN(CC[C@@H]1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r|

BDBM50299603

C[C@H]1CN(C[C@@H](C)N1C(=O)Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r|

BDBM50299602

C[C@H]1CN([C@H](C)CN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:12.13|

BDBM50308060

C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|

BDBM31095

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

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|

BDBM622427

Cc1[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Br)c3)c2c1C |$;;;;;;;;;;;;;;;;N;;;;;;;;;;$,t:8|

BDBM622430

Cc1[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3ccccc3)c2c1C |t:8|

BDBM622428

Cc1[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3ccccc3)c2c1C |t:8|

BDBM50591101

Cc1c2[nH]c3ccc(OC(=O)c4ccccc4)cc3c2c(C)c2c1cc[nH]c2=O

BDBM50072664

Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4)cc3)c12

BDBM622402

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)N[C@@H]3CCCc4ccccc34)c12 |r,t:9|

BDBM622383

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c12 |t:9|

BDBM622387

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c12 |t:9|

BDBM622385

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3ccc4OCOc4c3)c12 |t:9|

BDBM622384

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3ccc4ccccc4c3)c12 |t:9|

BDBM622379

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Br)c3)c12 |t:9|

BDBM622378

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Cl)c3)c12 |t:9|

BDBM622377

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(F)c3)c12 |t:9|

BDBM622392

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(OC(F)(F)F)c3)c12 |t:9|

BDBM622482

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(OCC4CCC(F)(F)CC4)c3)c12 |t:9|

BDBM622481

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(OCCCNC(=O)OC(C)(C)C)c3)c12 |t:9|

BDBM622489

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4ccc(Br)cc4Cl)c3)c12 |t:9|

BDBM622487

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4ccc(F)cc4)c3)c12 |t:9|

BDBM622488

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4cccc(Cl)c4)c3)c12 |t:9|

BDBM622486

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4cccc(F)c4)c3)c12 |t:9|

BDBM622492

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4cccc(O)c4)c3)c12 |t:9|

BDBM622491

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4cccc(OCc5ccccc5)c4)c3)c12 |t:9|

BDBM622386

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4ccccc4)c3)c12 |t:9|

BDBM622490

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4cccnc4)c3)c12 |t:9|

BDBM622475

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3cccc(OCCCNC(=O)OC(C)(C)C)c3)c12 |t:9|

BDBM622470

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3cccc(OCCCNS(C)(=O)=O)c3)c12 |t:9|

BDBM622388

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3ccccc3)c12 |t:9|

BDBM622389

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3ccncc3)c12 |t:9|

BDBM622390

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-n3cccc3)c12 |t:9|

BDBM622394

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-n3ccnc3)c12 |t:9|

BDBM622395

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-n3cncn3)c12 |t:9|

BDBM622381

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)C#N)c12 |t:9|

BDBM622477

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)C(=O)N3CCN(CC3)S(C)(=O)=O)c12 |t:9|

BDBM622382

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)C(F)(F)F)c12 |t:9|

BDBM622376

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3ccccc3)c12 |t:9|

BDBM622400

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccnc3)c12 |t:9|

BDBM622401

Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccs3)c12 |t:9|

BDBM50299605

Cc1c[nH]c2ncnc(N3CC4CC3CN4C(NC#N)=Nc3cccc(Br)c3)c12 |w:20.22|

BDBM50299604

Cc1c[nH]c2ncnc(N3CC4CCC(C3)N4C(=O)Nc3cccc(Br)c3)c12 |TLB:8:9:16:12.13|

BDBM50044011

Cc1c[nH]c2ncnc(N3CCC(C)(CC3)C(=O)Nc3cccc(c3)C(C)(C)C)c12

BDBM50299590

Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3ccc(C)cc3)c12

BDBM50299594

Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3cccc(Br)c3)c12

BDBM50299589

Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3cccc(C)c3)c12

BDBM50299593

Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3cccc(Oc4ccccc4)c3)c12

BDBM50299587

Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3ccccc3)c12

BDBM50299588

Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3ccccc3C)c12

BDBM50044012

Cc1c[nH]c2ncnc(N3CCC(CC=C)(CC3)C(=O)Nc3cccc(Cl)c3)c12

BDBM50299597

Cc1c[nH]c2ncnc(N3CCN(CC3)C(=O)Nc3cccc(Br)c3)c12

BDBM50299595

Cc1c[nH]c2ncnc(N3CCN(CC3)C(=O)Nc3cccc(C)c3)c12

BDBM50299598

Cc1c[nH]c2ncnc(N3CCN(CC3)C(NC#N)=Nc3cccc(Br)c3)c12 |w:19.20|

BDBM50044016

Cc1c[nH]c2ncnc(N3CCN4C(CN(C4=O)c4ccccc4)C3)c12

BDBM50591313

Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)n[nH]1

BDBM50591312

Cc1cc(on1)C(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM21079

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

BDBM13533

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

BDBM50237710

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

BDBM50332294

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM15138

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

BDBM50591099

Cc1nc(Cn2cc(CN(Cc3ccccc3)C(=O)c3ccc(cc3)S(=O)(=O)Nc3ccccc3)nn2)cs1

BDBM13216

Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1

BDBM50591097

Clc1ccc(Cn2cc(CN(Cc3ccccc3)C(=O)c3ccc(cc3)S(=O)(=O)Nc3ccccc3)nn2)cc1Cl

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM24654

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

BDBM622440

Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCCCc4c23)c1 |c:12|

BDBM622437

Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCCc4c23)c1 |c:12|

BDBM622434

Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:12|

BDBM622465

Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCOCc4c23)c1 |c:12|

BDBM622462

Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCSCc4c23)c1 |c:12|

BDBM622416

Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:12|

BDBM50591086

Clc1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)N(CC#C)Cc2ccccc2)c1

BDBM50591085

Clc1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)N(CCC#N)Cc2ccccc2)c1

BDBM50591095

Clc1ccccc1Cn1cc(CN(Cc2ccccc2)C(=O)c2ccc(cc2)S(=O)(=O)Nc2ccccc2)nn1

BDBM31088

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

BDBM50135286

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

BDBM50128285

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

BDBM50514649

Cn1cc(cn1)-c1[nH]c2cc(NC(=O)[C@H](N)C3CCCCC3)cc3c2c1cn[nH]c3=O |r|

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM50355497

Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO

BDBM622451

FC(F)(F)c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:15|

BDBM50591311

FC(F)c1cc(-c2cnc(NC(=O)C3CC3)s2)n(n1)-c1c(Cl)cccc1Cl |(6.16,-4.92,;4.94,-4.79,;4.22,-5.79,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;5.82,1.09,;5.78,2.63,;4.3,3.07,;3.79,4.52,;4.79,5.69,;6,5.46,;4.28,7.14,;4.59,8.57,;3.14,8.05,;3.43,1.8,;2.67,-1.54,;2.81,-3.06,;1.33,-.77,;1.33,.77,;2.4,1.39,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-2.77,)|

BDBM50132260

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

BDBM4779

Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl

BDBM15244

Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|

BDBM622439

Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCCCc4c23)c1 |c:12|

BDBM622436

Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCCc4c23)c1 |c:12|

BDBM622433

Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:12|

BDBM622464

Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCOCc4c23)c1 |c:12|

BDBM622461

Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCSCc4c23)c1 |c:12|

BDBM622415

Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:12|

BDBM50355501

N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|

BDBM50273636

NC(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)cc1

BDBM50110208

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

BDBM50043422

NCCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50043423

NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM25084

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

BDBM50243389

Nc1nc(NCCNc2ncc(c(n2)-c2ccc(Cl)cc2Cl)-n2ccnc2)ccc1[N+]([O-])=O

BDBM6866

Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F

BDBM50591088

O=C(N(CC#C)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50591089

O=C(N(CCC#C)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50043501

O=C(N(CCC#N)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50591087

O=C(N(CCc1ccccc1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50591094

O=C(N(CCc1cn(Cc2ccccc2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50591100

O=C(N(Cc1cn(CC2CNC(=O)O2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50591093

O=C(N(Cc1cn(Cc2ccccc2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50591096

O=C(N(Cc1cn(Cc2ccncc2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50591098

O=C(N(Cc1cn(Cc2cn3cccnc3n2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50355496

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

BDBM622426

O=C(NC1CCCCC1)N1CCC(=CC1)c1ncnc2[nH]cc(C3CC3)c12 |c:13|

BDBM50591092

O=C(NCc1ccccc1)c1ccc(cc1)S(=O)(=O)NCc1ccccc1

BDBM622418

O=C(Nc1cccc(Cc2ccccc2)c1)N1CCC(=CC1)c1ncnc2[nH]cc(C3CC3)c12 |c:21|

BDBM622449

O=C(Nc1cccc(Oc2ccccc2)c1)N1CCC(=CC1)c1ncnc2[nH]c3CCCCc3c12 |c:21|

BDBM622448

O=C(Nc1cccc(Oc2ccccc2)c1)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:21|

BDBM622423

O=C(Nc1cccc(Oc2ccccc2)c1)N1CCC(=CC1)c1ncnc2[nH]cc(C3CC3)c12 |c:21|

BDBM622446

O=C(Nc1cccc(c1)-c1ccccc1)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:20|

BDBM622447

O=C(Nc1cccc(c1)-c1ccncc1)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:20|

BDBM622424

O=C(Nc1cccc(c1)-n1cccc1)N1CCC(=CC1)c1ncnc2[nH]cc(C3CC3)c12 |c:19|

BDBM622450

O=C(Nc1cccc(c1)C#N)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:15|

BDBM622453

O=C(Nc1cccc(c1)N1CCOCC1)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:20|

BDBM622443

O=C(Nc1ccccc1)N1CCC(=CC1)c1ncnc2[nH]c3CCCCc3c12 |c:13|

BDBM622442

O=C(Nc1ccccc1)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:13|

BDBM50043418

O=S(=O)(Nc1ccccc1)c1ccc(cc1)-c1ncccc1Cc1ccccc1

BDBM50043419

O=S(=O)(Nc1ccccc1)c1ccc(cc1)-c1nccn1Cc1ccccc1

BDBM50043417

O=S(=O)(Nc1ccccc1)c1ccc(cc1)-c1nccnc1Cc1ccccc1

BDBM50043421

O=S(=O)(Nc1ccccc1)c1ccc(cc1)-c1ocnc1Cc1ccccc1

BDBM50043420

O=c1ccnc(-c2ccc(cc2)S(=O)(=O)Nc2ccccc2)n1Cc1ccccc1

BDBM31093

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

BDBM50043509

OCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM25628

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

BDBM50124354

Oc1ccc(Nc2ncc(s2)-c2ccncc2-c2ccccc2Cl)cc1

BDBM13531

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

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1