SMILES for Mitogen-activated protein kinase kinase kinase 9

[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|

BDBM31095

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

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

BDBM13534

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

BDBM50400047

c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N

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

BDBM2579

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

BDBM50026612

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

BDBM50108294

COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSCC=C)cc3c3c4CNC(=O)c4c4c5cc(CSCC=C)ccc5n2c4c13

BDBM50108292

CCCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45

BDBM50108293

CCOCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45

BDBM50108296

COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CO)cc3c3c4CNC(=O)c4c4c5cc(CO)ccc5n2c4c13

BDBM50108300

COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSCCN(C)C)cc3c3c4CNC(=O)c4c4c5cc(CSCCN(C)C)ccc5n2c4c13

BDBM50108295

COCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COC)cc5c5c6CNC(=O)c6c(c2c1)c3c45

BDBM50108297

COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSC(C)C)cc3c3c4CNC(=O)c4c4c5cc(CSC(C)C)ccc5n2c4c13

BDBM50108291

CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccccc5c5c6CNC(=O)c6c(c2c1)c3c45

BDBM50108298

CCCCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCCCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45

BDBM50108299

CCSCc1ccc2n3c4c(c5CNC(=O)c5c5c6ccccc6n([C@H]6C[C@](O)(C(=O)OC)[C@]3(C)O6)c45)c2c1

BDBM50059190

c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5

BDBM50095952

NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|

BDBM50123803

CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

BDBM50128294

c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5

BDBM50255012

CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1

BDBM50255013

N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|

BDBM50255048

OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|

BDBM50255049

OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|

BDBM50135286

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

BDBM50312605

Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2sc(cc2n1)C(C)(C)O

BDBM50312613

CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1

BDBM50300690

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

BDBM13535

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

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|

BDBM16673

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

BDBM50332294

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

BDBM50128285

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

BDBM5655

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

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM25121

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

BDBM50306682

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

BDBM50193995

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

BDBM27817

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

BDBM50355501

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

BDBM50184807

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

BDBM482158

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

BDBM12621

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

BDBM50355499

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

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

BDBM13336

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

BDBM4552

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

BDBM5445

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

BDBM50322823

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

BDBM24654

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

BDBM31088

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

BDBM25084

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

BDBM60665

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

BDBM50309910

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

BDBM13530

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

BDBM15138

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

BDBM50161957

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

BDBM26300

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

BDBM50355504

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

BDBM50355500

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

BDBM25117

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

BDBM6568

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

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM15244

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

BDBM36409

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

BDBM13533

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

BDBM5447

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

BDBM5931

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

BDBM50132260

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

BDBM50355494

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

BDBM5446

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

BDBM31093

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

BDBM50355495

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

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|

BDBM25028

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

BDBM25013

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

BDBM13216

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

BDBM50355497

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

BDBM25628

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

BDBM21

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

BDBM31085

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

BDBM50237710

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

BDBM25617

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

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM50331096

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

BDBM32362

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

BDBM4779

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

BDBM50355496

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

BDBM21079

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

BDBM24773

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

BDBM50357884

[O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|

BDBM50358204

Cc1c(sc2c1nc(nc2N3CCOCC3)c4cnc(nc4)N)CN5CCN(CC5)C(=O)[C@H](C)O

BDBM50359359

CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C

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

BDBM7533

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

BDBM13531

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

BDBM50110208

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

BDBM50271207

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC(F)(F)F)c1)C1COC1 |r|

BDBM50271212

[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC1CC1)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r|

BDBM50392791

CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|

BDBM482160

CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl

BDBM50396534

Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12

BDBM50402409

O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1 |r|

BDBM50425862

CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 |(9.04,-43.08,;10.39,-42.35,;11.7,-43.16,;10.44,-40.81,;9.13,-40,;9.18,-38.46,;10.53,-37.74,;11.85,-38.53,;11.8,-40.08,;10.57,-36.2,;9.81,-34.87,;8.27,-34.86,;7.51,-33.53,;5.96,-33.52,;5.2,-32.19,;5.97,-30.85,;5.21,-29.52,;5.98,-28.19,;3.67,-29.52,;2.89,-30.86,;1.35,-30.86,;3.66,-32.19,;8.27,-32.2,;9.8,-32.19,;10.58,-33.53,;12.11,-33.53,;12.6,-34.99,;14.14,-34.99,;15.06,-36.23,;14.61,-33.52,;13.35,-32.62,)|

BDBM50425863

CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|

BDBM50425864

CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |(47.36,-51.36,;48.9,-51.37,;49.67,-52.7,;49.68,-50.04,;48.92,-48.7,;49.7,-47.37,;51.23,-47.39,;52.01,-48.71,;51.22,-50.05,;52,-46.06,;51.24,-44.72,;49.7,-44.72,;48.94,-43.38,;47.4,-43.38,;46.63,-42.04,;47.41,-40.71,;46.64,-39.37,;47.41,-38.04,;45.1,-39.37,;44.33,-40.71,;42.79,-40.71,;45.1,-42.04,;49.7,-42.05,;51.24,-42.05,;52.01,-43.39,;53.55,-43.39,;54.32,-44.72,;54.32,-42.06,;55.86,-42.06,;56.62,-43.39,;58.16,-43.4,;58.94,-42.07,;60.48,-42.08,;58.17,-40.73,;56.62,-40.72,)|

BDBM50429477

FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl

BDBM50429867

Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O

BDBM50430297

CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(CC)c3-c2c1

BDBM50430289

CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1

BDBM50458548

CC(C)OCc1ccc2n(CCO)c3c4[nH]c5ccccc5c4c4CNC(=O)c4c3c2c1

BDBM50441567

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1

BDBM50466038

CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12

BDBM50505542

[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|

BDBM50505541

[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|

BDBM50509368

COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc(Br)[nH]3)c12

BDBM50509370

COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc[nH]3)c12

BDBM50509369

COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12

BDBM50509365

COc1cc2c(c[nH]c2cc1Br)-c1cnc(o1)-c1ccc[nH]1

BDBM50509366

COc1cc(Br)cc2[nH]cc(-c3oc(nc3I)-c3ccc[nH]3)c12

BDBM50509367

COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3cc(Br)c[nH]3)c12

BDBM50510133

CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1

BDBM350085

CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C

BDBM50519662

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

BDBM50537742

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

BDBM50553207

NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1

BDBM50563533

CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1

BDBM50563534

CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]n1

BDBM246383

[H]/N=C(\c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4F)OC)/OC

BDBM50620705

OCCN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cccc(Cl)c4)c3c2)CC1

BDBM50620990

CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1cccc(c1)C(=O)N1CCOCC1 |r|

BDBM50620991

CCS(=O)(=O)N1CC[C@@H](C1)Nc1ccnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1cccc(c1)C(=O)N1CCOCC1 |r|

BDBM50620992

CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Cl)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1cccc(c1)C(=O)N1CCOCC1 |r|

BDBM50620994

CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1ccc(cc1)C(=O)N1CCOCC1 |r|

BDBM50620995

CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1ccc(NC(=O)CN(C)C)cc1C |r,wD:8.10,(4.05,-5.61,;4.82,-4.28,;4.05,-2.95,;2.71,-2.17,;2.71,-3.71,;4.82,-1.61,;4.05,-.28,;5.08,.87,;6.48,.24,;6.32,-1.29,;7.82,1.01,;7.82,2.54,;9.14,3.31,;10.47,2.54,;9.14,4.84,;7.81,5.61,;6.48,4.84,;5.02,5.32,;4.11,4.07,;5.02,2.83,;6.48,3.3,;2.57,4.07,;1.67,5.32,;.2,4.84,;-1.13,5.61,;.2,3.3,;1.67,2.83,;2.07,1.34,;-1.13,2.53,;-2.47,3.31,;-3.8,2.53,;-3.8,1,;-5.13,.23,;-6.46,1,;-6.46,2.54,;-7.8,.23,;-9.13,1,;-10.47,.23,;-9.13,2.54,;-2.46,.23,;-1.13,.99,;.2,.22,)|

BDBM50620996

CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1ccc(cc1C)C(=O)N1CCN(C)CC1 |r,wD:8.10,(4.04,-5.61,;4.81,-4.28,;4.04,-2.95,;2.71,-2.17,;2.71,-3.71,;4.81,-1.61,;4.05,-.28,;5.08,.87,;6.48,.24,;6.32,-1.29,;7.82,1.01,;7.82,2.54,;9.14,3.31,;10.46,2.54,;9.14,4.84,;7.81,5.61,;6.48,4.84,;5.02,5.32,;4.11,4.07,;5.02,2.83,;6.48,3.3,;2.57,4.07,;1.67,5.32,;.2,4.84,;-1.13,5.61,;.2,3.3,;1.67,2.83,;2.07,1.34,;-1.13,2.53,;-2.47,3.31,;-3.8,2.53,;-3.8,1,;-2.46,.23,;-1.13,.99,;.2,.22,;-5.13,.23,;-5.13,-1.31,;-6.46,1,;-7.8,.23,;-9.13,1,;-9.13,2.54,;-10.46,3.31,;-7.8,3.31,;-6.46,2.54,)|

BDBM50620997

CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1cc(ccc1C)C(=O)N1CCN(C)CC1 |r,wD:8.10,(4.05,-5.61,;4.82,-4.28,;4.05,-2.95,;2.71,-2.17,;2.71,-3.71,;4.82,-1.61,;4.05,-.28,;5.08,.87,;6.48,.24,;6.32,-1.29,;7.82,1.01,;7.82,2.54,;9.14,3.31,;10.47,2.54,;9.14,4.84,;7.81,5.61,;6.49,4.84,;5.02,5.32,;4.11,4.07,;5.02,2.83,;6.49,3.3,;2.57,4.07,;1.67,5.32,;.2,4.84,;-1.13,5.61,;.2,3.3,;1.67,2.83,;2.07,1.34,;-1.13,2.53,;-2.47,3.31,;-3.8,2.53,;-3.79,1,;-2.46,.23,;-1.13,.99,;.2,.22,;-5.13,3.3,;-5.13,4.84,;-6.47,2.53,;-6.47,.99,;-7.8,.22,;-9.13,.99,;-10.47,.22,;-9.13,2.53,;-7.8,3.3,)|

BDBM50620998

CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1cc(NC(=O)CN2CCN(C)CC2)ccc1C |r,wD:8.10,(5.38,-5.61,;6.15,-4.28,;5.38,-2.95,;4.04,-2.17,;4.04,-3.71,;6.15,-1.61,;5.38,-.28,;6.41,.87,;7.82,.24,;7.66,-1.29,;9.15,1.01,;9.15,2.54,;10.47,3.31,;11.8,2.54,;10.47,4.84,;9.15,5.61,;7.82,4.84,;6.35,5.32,;5.45,4.07,;6.35,2.83,;7.82,3.3,;3.91,4.07,;3,5.32,;1.54,4.84,;.2,5.61,;1.54,3.3,;3,2.83,;3.4,1.34,;.2,2.53,;-1.13,3.31,;-2.46,2.53,;-3.8,3.3,;-5.13,2.53,;-5.13,.99,;-6.46,3.3,;-7.8,2.53,;-7.8,.99,;-9.13,.22,;-10.47,.99,;-11.8,.22,;-10.47,2.53,;-9.13,3.3,;-2.46,1,;-1.13,.23,;.2,.99,;1.54,.22,)|

BDBM50620999

CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1cccc(NC(=O)CN(C)C)c1C |r,wD:8.10,(4.05,-5.61,;4.82,-4.28,;4.05,-2.95,;2.71,-2.17,;2.71,-3.71,;4.82,-1.61,;4.05,-.28,;5.08,.87,;6.48,.24,;6.32,-1.29,;7.82,1.01,;7.82,2.54,;9.14,3.31,;10.47,2.54,;9.14,4.84,;7.81,5.61,;6.49,4.84,;5.02,5.32,;4.11,4.07,;5.02,2.83,;6.49,3.3,;2.57,4.07,;1.67,5.32,;.2,4.84,;-1.13,5.61,;.2,3.3,;1.67,2.83,;2.07,1.34,;-1.13,2.53,;-1.13,.99,;-2.46,.23,;-3.79,1,;-3.8,2.53,;-5.13,3.3,;-6.47,2.53,;-6.47,.99,;-7.8,3.3,;-9.13,2.53,;-9.13,.99,;-10.47,3.3,;-2.47,3.31,;-2.47,4.85,)|

BDBM50621000

CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1cccc(NC(=O)CN2CCOCC2)c1C |r,wD:8.10,(4.71,-5.61,;5.48,-4.28,;4.71,-2.95,;3.38,-2.17,;3.38,-3.71,;5.48,-1.61,;4.71,-.28,;5.74,.87,;7.15,.24,;6.99,-1.29,;8.48,1.01,;8.48,2.54,;9.8,3.31,;11.13,2.54,;9.8,4.84,;8.48,5.61,;7.15,4.84,;5.69,5.32,;4.78,4.07,;5.69,2.83,;7.15,3.3,;3.24,4.07,;2.34,5.32,;.87,4.84,;-.46,5.61,;.87,3.3,;2.34,2.83,;2.73,1.34,;-.46,2.53,;-.46,.99,;-1.79,.23,;-3.13,1,;-3.13,2.53,;-4.46,3.3,;-5.8,2.53,;-5.8,.99,;-7.13,3.3,;-8.47,2.53,;-8.47,.99,;-9.8,.22,;-11.13,.99,;-11.13,2.53,;-9.8,3.3,;-1.8,3.31,;-1.8,4.85,)|

BDBM50621001

CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1cccc(c1)C(=O)NCCN(C)C |r|

BDBM50621002

CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1cccc(C(=O)NCCN(C)C)c1C |r,wD:8.10,(4.71,-5.61,;5.48,-4.28,;4.71,-2.95,;3.38,-2.17,;3.38,-3.71,;5.48,-1.61,;4.71,-.28,;5.74,.87,;7.15,.24,;6.99,-1.29,;8.48,1.01,;8.48,2.54,;9.8,3.31,;11.13,2.54,;9.8,4.84,;8.48,5.61,;7.15,4.84,;5.69,5.32,;4.78,4.07,;5.69,2.83,;7.15,3.3,;3.24,4.07,;2.34,5.32,;.87,4.84,;-.46,5.61,;.87,3.3,;2.34,2.83,;2.73,1.34,;-.46,2.53,;-.46,.99,;-1.79,.23,;-3.13,1,;-3.13,2.53,;-4.46,3.3,;-4.46,4.84,;-5.8,2.53,;-7.13,3.3,;-8.47,2.53,;-9.8,3.3,;-11.13,2.53,;-9.8,4.84,;-1.8,3.31,;-1.8,4.85,)|

BDBM50621003

CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1ccc(cc1)C(=O)NCCN(C)C |r|

BDBM50621004

CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1ccc(cc1)C(=O)N(C)CCN(C)C |r|

BDBM50468574

CCS(=O)(=O)N1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC4CC4)C(=O)N

BDBM50075102

Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12

BDBM185674

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1

BDBM50391802

c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O

BDBM50185140

CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl

BDBM50311017

O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM130909

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