SMILES for Serine/threonine-protein kinase PAK 4

[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|

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|

BDBM50555968

CNC(=O)c1n[nH]c2cc(ccc12)-c1ccc(cc1Cl)-n1cccc(C)c1=O

BDBM50555970

Cc1cccn(-c2ccc(c(Cl)c2)-c2ccc3c(n[nH]c3c2)C(=O)NCC2CC2)c1=O

BDBM50555972

CCNC(=O)c1n[nH]c2cc(ccc12)-c1ccc(cc1Cl)-n1cccc(C)c1=O

BDBM50555982

Cc1cccn(-c2ccc(c(Cl)c2)-c2ccc3c(n[nH]c3c2)C(=O)NCc2ccncc2)c1=O

BDBM50581216

Cn1c2c(c(c1Br)C#N)c(ncn2)N

BDBM50581221

CCn1c(c(C#N)c2c(N)nc(C)nc12)-c1cccc(F)c1F |(54.34,-17.21,;52.83,-16.89,;51.8,-18.03,;50.27,-17.87,;49.64,-19.29,;48.13,-19.61,;46.62,-19.93,;50.78,-20.31,;50.78,-21.86,;49.44,-22.64,;52.12,-22.64,;53.46,-21.86,;54.8,-22.63,;53.46,-20.31,;52.12,-19.55,;49.5,-16.54,;47.97,-16.55,;47.19,-15.22,;47.96,-13.88,;49.5,-13.88,;50.27,-12.55,;50.27,-15.21,;51.81,-15.21,)|

BDBM50581222

Cc1nc(N)c2c(C#N)c(-c3cccc(F)c3F)n(C)c2n1 |(67.73,-22.18,;66.4,-21.41,;65.06,-22.19,;63.72,-21.41,;62.38,-22.19,;63.72,-19.87,;62.58,-18.84,;61.07,-19.16,;59.55,-19.48,;63.2,-17.43,;62.43,-16.1,;60.9,-16.1,;60.13,-14.78,;60.9,-13.43,;62.44,-13.43,;63.2,-12.1,;63.21,-14.76,;64.74,-14.76,;64.74,-17.59,;65.77,-16.44,;65.06,-19.1,;66.4,-19.87,)|

BDBM50581225

Cc1nc(N)c2c(C#N)c([nH]c2n1)-c1cccnc1

BDBM50581226

Cc1nc(N)c2c(C#N)c([nH]c2n1)-c1cccc(F)c1F

BDBM50581227

COc1nc(C)nc2[nH]cc(-c3ccncc3)c12

BDBM50581228

COc1nc(C)nc2[nH]cc(-c3ccnc(N)c3)c12

BDBM50581229

COc1nc(C)nc2[nH]cc(-c3ccnc(C)c3)c12

BDBM50429615

CC(C)(C#Cc1ccc2c(c1)c-3c([nH]2)CCCc4c3nc(nc4)N)O

BDBM50591919

Cc1cc(Nc2nc(Cl)nc3[nH]ncc23)n[nH]1

BDBM50591920

Cc1cc(Nc2nc(NC3CCNCC3)nc3[nH]ncc23)n[nH]1

BDBM50591921

Cc1cc(Nc2nc(nc3[nH]ncc23)N2CCNCC2)n[nH]1

BDBM50591922

Cc1cc(Nc2nc(NC3CCNC3)nc3[nH]ncc23)n[nH]1

BDBM50591923

Cc1cc(Nc2nc(Nc3ccccc3)nc3[nH]ncc23)n[nH]1

BDBM50591924

Cc1cc(Nc2nc(NCc3ccccc3)nc3[nH]ncc23)n[nH]1

BDBM50591925

Cc1cc(Nc2nc(NCc3ccccc3F)nc3[nH]ncc23)n[nH]1

BDBM50591926

Cc1cc(Nc2nc(NCc3ccccc3Cl)nc3[nH]ncc23)n[nH]1

BDBM50591927

Cc1cc(Nc2nc(NCc3ccccc3Br)nc3[nH]ncc23)n[nH]1

BDBM50591928

Cc1cc(Nc2nc(NCc3cccc(F)c3)nc3[nH]ncc23)n[nH]1

BDBM50591929

Cc1cc(Nc2nc(NCc3cccc(Cl)c3)nc3[nH]ncc23)n[nH]1

BDBM50591930

Cc1cc(Nc2nc(NCc3cccc(Br)c3)nc3[nH]ncc23)n[nH]1

BDBM50591931

Cc1cc(Nc2nc(NCc3ccc(F)cc3)nc3[nH]ncc23)n[nH]1

BDBM50591932

Cc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3[nH]ncc23)n[nH]1

BDBM50591933

Cc1cc(Nc2nc(NCc3ccc(Br)cc3)nc3[nH]ncc23)n[nH]1

BDBM50591934

Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3[nH]ncc23)n[nH]1

BDBM50591948

Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3n(ncc23)C2CCNCC2)n[nH]1

BDBM50591949

Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3n(ncc23)C2CCOCC2)n[nH]1

BDBM50591950

Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3n(CC(C)(C)O)ncc23)n[nH]1

BDBM50591962

Cc1cc(Nc2cc(Cc3ccccc3)nc(NC3CCNCC3)n2)n[nH]1

BDBM50175235

Cc1[nH]nc2sc(C(N)=O)c(NC(=O)c3ccccc3Cl)c12

BDBM50175238

Cc1n[nH]c2sc(cc12)C(N)=O

BDBM50175246

Cc1[nH]nc2sc(C(N)=O)c(NC(=O)c3cccs3)c12

BDBM50175232

CN1CCN(CC1)C(=O)c1cc2c(n[nH]c2s1)-c1ccccc1

BDBM50175248

COC(=O)c1cc2c(C)n[nH]c2s1

BDBM50175249

CCCCNC(=O)c1cc2c(C)n[nH]c2s1

BDBM50175245

Cc1[nH]nc2sc(C(N)=O)c(NC(=O)Nc3ccccc3)c12

BDBM50175240

Cc1n[nH]c2sc(cc12)C(=O)NC1CCCCC1

BDBM50175239

O=C(NC1CCCCC1)c1cc2c(n[nH]c2s1)-c1ccccc1

BDBM50175247

O=C(NCc1ccccc1)c1cc2c(n[nH]c2s1)-c1ccccc1

BDBM50175244

Cc1[nH]nc2sc(C(N)=O)c(NC(=O)c3ccc(Cl)cc3)c12

BDBM50175234

O=C(NCCc1ccccc1)c1cc2c(n[nH]c2s1)-c1ccccc1

BDBM50175251

COC(=O)c1cc2c(Nc3ccccc3)[nH]nc2s1

BDBM50175233

COC(=O)c1cc2c(CN3CCCCC3)n[nH]c2s1

BDBM50175241

COc1ccc(CNC(=O)c2cc3c(n[nH]c3s2)-c2ccccc2)cc1

BDBM50175253

Cc1[nH]nc2sc(C(N)=O)c(NC(=O)c3cccc(Cl)c3)c12

BDBM50175250

COC(=O)C(=O)Nc1c(sc2n[nH]c(C)c12)C(N)=O

BDBM50175242

CCCCN(C)C(=O)c1cc2c(C)n[nH]c2s1

BDBM50175237

CCCCN(C)C(=O)c1cc2c(n[nH]c2s1)-c1ccccc1

BDBM50175236

CC(=O)Nc1c(sc2n[nH]c(C)c12)C(N)=O

BDBM50175243

Cc1n[nH]c2sc(cc12)C(=O)NCc1ccccc1

BDBM50175252

Cc1[nH]nc2sc(C(N)=O)c(NC(=O)COc3ccccc3)c12

BDBM50600083

C1CC(CCN1)Nc1nc(Nc2ccccc2)nc2[nH]ccc12

BDBM50600084

Clc1cccc(Nc2nc(NC3CCNCC3)c3cc[nH]c3n2)c1

BDBM50600085

N[C@H]1CCCN(C1)c1nc(Nc2cccc(Cl)c2)nc2[nH]ccc12 |r|

BDBM50600086

N[C@@H]1CCCN(C1)c1nc(Nc2cccc(Cl)c2)nc2[nH]ccc12 |r|

BDBM50600087

N[C@H]1CC[C@H](CC1)Nc1nc(Nc2cccc(Cl)c2)nc2[nH]ccc12 |r,wU:4.7,1.0,(6.67,-3.85,;5.34,-3.08,;4,-3.85,;2.67,-3.08,;2.67,-1.54,;4,-.77,;5.34,-1.54,;1.34,-.77,;1.34,.77,;-0,1.53,;-0,3.08,;-1.33,3.85,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.34,3.07,;-6.67,3.84,;-4.01,3.85,;1.33,3.85,;2.66,3.08,;4.16,3.54,;5.04,2.32,;4.12,1.08,;2.66,1.54,)|

BDBM50600088

N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cccc(Cl)c2)nc2[nH]ccc12 |r,wU:4.7,wD:1.0,(6.67,-3.85,;5.34,-3.08,;5.34,-1.54,;4,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;1.34,-.77,;1.34,.77,;-0,1.53,;-0,3.08,;-1.33,3.85,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.34,3.07,;-6.67,3.84,;-4.01,3.85,;1.33,3.85,;2.66,3.08,;4.16,3.54,;5.04,2.32,;4.12,1.08,;2.66,1.54,)|

BDBM101618

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

BDBM50600089

Nc1ccc(\C=C\C(=O)NCc2cc3cc(cc(-c4ccc(F)cc4)c3o2)-c2ccc(cc2)C(=O)N2CCC(F)(F)CC2)cn1

BDBM50600090

Fc1cccc(Nc2nc(NC3CCNCC3)c3cc[nH]c3n2)c1

BDBM50600091

COCCNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC1(O)CCCCC1

BDBM50615896

OC1CCCN(C1)C(=O)c1cccc(c1)-c1n[nH]c2ncc(Cc3cc(F)ccc3F)cc12

BDBM50615897

O[C@@H]1CCCN(C1)C(=O)c1cccc(c1)-c1n[nH]c2ncc(Cc3cc(F)ccc3F)cc12 |r|

BDBM50615898

O[C@H]1CCCN(C1)C(=O)c1cccc(c1)-c1n[nH]c2ncc(Cc3cc(F)ccc3F)cc12 |r|

BDBM50591939

COc1c(Nc2cc(C)[nH]n2)nc(Sc2ccc(cc2F)S(=O)(=O)Cc2cccc(c2F)[N+]([O-])=O)nc1N1CCOCC1

BDBM50619654

CC(C)Nc1cc(F)cc(c1)-c1n[nH]c2ncc(cc12)-c1cccc(c1)S(C)(=O)=O

BDBM50619655

CC(=O)Nc1cc(F)cc(c1)-c1n[nH]c2ncc(cc12)-c1cccc(c1)S(C)(=O)=O

BDBM50619656

CS(=O)(=O)c1cccc(c1)-c1cnc2[nH]nc(-c3cc(F)cc(NC(=O)Nc4ccccc4)c3)c2c1

BDBM50619657

CS(=O)(=O)c1cccc(c1)-c1cnc2[nH]nc(-c3cc(F)cc(NC(=O)Nc4cccnc4)c3)c2c1

BDBM50619658

CS(=O)(=O)c1cccc(c1)-c1cnc2[nH]nc(-c3cc(F)cc(NC(=O)Nc4cncnc4)c3)c2c1

BDBM50619659

Fc1cc(NC(=O)Nc2cncnc2)cc(c1)-c1n[nH]c2ncc(cc12)-c1ccc(CN2CCOCC2)cc1

BDBM50619660

CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]nc(-c4cc(F)cc(NC(=O)Nc5cncnc5)c4)c3c2)CC1

BDBM50634054

CC(C)[C@@H](N)CNC(=O)c1nc(Nc2n[nH]c3ccccc23)c2cc(Cl)ccc2n1 |r|

BDBM50634055

CC(C)[C@H](N)CNC(=O)c1nc(Nc2n[nH]c3ccccc23)c2cc(Cl)ccc2n1 |r|

BDBM50634056

N[C@@H](CNC(=O)c1nc(Nc2n[nH]c3ccccc23)c2cc(Cl)ccc2n1)c1ccccc1 |r|

BDBM50634057

N[C@H](CNC(=O)c1nc(Nc2n[nH]c3ccccc23)c2cc(Cl)ccc2n1)c1ccccc1 |r|

BDBM50634058

N[C@@H](CNC(=O)c1nc(Nc2n[nH]c3ccccc23)c2cc(Cl)ccc2n1)Cc1ccccc1 |r|

BDBM50634059

N[C@H](CNC(=O)c1nc(Nc2n[nH]c3ccccc23)c2cc(Cl)ccc2n1)Cc1ccccc1 |r|

BDBM50634060

Nc1ccc(\C=C\C(=O)NCc2cc3cc(cc(-c4ccc(F)cc4)c3o2)-c2ccc(cn2)C(=O)N2CCC(F)(F)CC2)cn1

BDBM50467836

C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O

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

BDBM174948

Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F

BDBM50112355

CCN1c2c(cnc(n2)Nc3ccc(c(c3)F)N4CCNCC4)C=C(C1=O)c5ccc(cc5Cl)Cl

BDBM50075102

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

BDBM153898

C[C@@H]1CN([C@@H](C)CN1CC1CCOCC1)C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C |r|

BDBM50391802

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

BDBM50343559

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1

BDBM50389109

CC1(c2c(c([nH]n2)NC(=O)c3cccc(c3)Oc4ccccc4)CN1C(=O)N5CCN(C[C@@H]5Cc6ccccc6)C)C

BDBM50389111

CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1ccccc1 |r|

BDBM50389113

CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|

BDBM50389121

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

BDBM50097131

[H][C@@]12CN(C[C@]1([H])[C@H]2N)c1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1 |r|

BDBM50148931

CCn1c2nc(NCCC3CCN(C)CC3)ncc2cc(-c2ccc(cc2Cl)-c2cncc(C)n2)c1=O

BDBM50652947

CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21

BDBM50448775

CCNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(C)O

BDBM50448780

Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC1(O)CCCCC1

BDBM50448771

COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC1(O)CCCCC1

BDBM50652952

O=C(c1ccccc1Cl)c1n[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12

BDBM50448770

Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(C)O

BDBM50652949

CCN1c2ccc(F)cc2N=C(NC2CCN(C(=O)NC(C)(C)C)C2)c2cc(Cl)ccc21

BDBM50311017

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

BDBM50349102

CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21

BDBM16018

O=C1c2ccccc2-c2n[nH]c3cccc1c23

BDBM50503287

CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|

BDBM130909

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

BDBM50305006

NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12

BDBM50307506

Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12

BDBM50307507

CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21

BDBM50307535

CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

BDBM50315888

O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1

BDBM41575

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

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

BDBM13535

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

BDBM16673

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

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|

BDBM50327912

O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r|

BDBM50329427

NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1

BDBM50337306

OCCCc1cn(nn1)-c1ccc2[nH]ncc2c1

BDBM50337307

C1CC1c1cn(nn1)-c1ccc2[nH]ncc2c1

BDBM50337308

C1CCC(C1)c1cn(nn1)-c1ccc2[nH]ncc2c1

BDBM50337309

C(C1CCCCC1)c1cn(nn1)-c1ccc2[nH]ncc2c1

BDBM50337310

C(c1cn(nn1)-c1ccc2[nH]ncc2c1)c1ccccc1

BDBM50337311

C(Cc1ccccc1)c1cn(nn1)-c1ccc2[nH]ncc2c1

BDBM50337312

C(Cc1cn(nn1)-c1ccc2[nH]ncc2c1)Cc1ccccc1

BDBM50337313

c1[nH]nnc1-c1ccc2n[nH]cc2c1

BDBM50337314

C(c1ccccc1)n1cc(nn1)-c1ccc2[nH]ncc2c1

BDBM50337315

Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1

BDBM50337319

Fc1ccccc1Cn1cc(nn1)-c1ccc2[nH]ncc2c1

BDBM50337322

Clc1cccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c1Cl

BDBM50337324

C(c1cc(on1)-c1ccc2[nH]ncc2c1)c1ccccc1

BDBM50337325

Nc1n[nH]c2ccc(cc12)-c1cc(Cc2ccccc2)no1

BDBM50337326

CCCc1cc(on1)-c1ccc2[nH]ncc2c1

BDBM50337327

CNC(=O)c1cc(on1)-c1ccc2[nH]ncc2c1

BDBM50337328

C(N1CCCCC1)c1cc(on1)-c1ccc2[nH]ncc2c1

BDBM50337304

CCCc1cn(nn1)-c1ccc2[nH]ncc2c1

BDBM50337305

COCc1cn(nn1)-c1ccc2[nH]ncc2c1

BDBM50337365

c1n[nH]c2ccc(cc12)-c1cn2cccnc2n1

BDBM50337366

c1n[nH]c2ccc(cc12)-c1nc2ncccn2c1-c1ccccc1

BDBM50337367

Cc1nc(cs1)-c1ccc2[nH]ncc2c1

BDBM50337368

Nc1nc(cs1)-c1ccc2[nH]ncc2c1

BDBM50337369

CCNc1nc(cs1)-c1ccc2[nH]ncc2c1

BDBM50337370

N(c1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1

BDBM50337371

C(Nc1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1

BDBM50337372

C(Cc1ccccc1)Nc1nc(cs1)-c1ccc2[nH]ncc2c1

BDBM50337373

N(c1nc(c(s1)-c1ccccc1)-c1ccc2[nH]ncc2c1)c1ccccc1

BDBM50337374

C(Nc1nc(c(s1)-c1ccccc1)-c1ccc2[nH]ncc2c1)c1ccccc1

BDBM50337378

CC(C)Nc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1

BDBM50337379

CCCCNc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1

BDBM50337380

Clc1ccc(Nc2c(nc3ncccn23)-c2ccc3[nH]ncc3c2)cc1

BDBM50337382

CN(C)CCn1cnc(c1-c1ccc2[nH]ncc2c1)-c1ccc(F)cc1

BDBM50337383

Fc1ccc(cc1)-c1ncn(CCN2CCOCC2)c1-c1ccc2[nH]ncc2c1

BDBM50337384

Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccc2[nH]ncc2c1

BDBM50337385

Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccccc3)C2)c1-c1ccc2[nH]ncc2c1

BDBM50026612

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

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM482158

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

BDBM4552

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

BDBM50355494

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

BDBM32362

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

BDBM13533

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

BDBM15138

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

BDBM26474

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

BDBM12621

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

BDBM50355497

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

BDBM50237710

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

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

BDBM25617

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

BDBM50331096

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

BDBM5447

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

BDBM25628

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

BDBM50322823

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

BDBM4779

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

BDBM25028

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

BDBM25118

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

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM31088

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

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|

BDBM50128285

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

BDBM17055

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

BDBM50355500

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

BDBM24773

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

BDBM36409

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

BDBM50309910

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

BDBM5931

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

BDBM31085

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

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

BDBM25084

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

BDBM5446

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

BDBM50332294

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

BDBM50355499

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

BDBM50184807

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

BDBM13336

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

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|

BDBM31093

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

BDBM15244

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

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

BDBM13530

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

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM21

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

BDBM50193995

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

BDBM21079

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

BDBM5445

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

BDBM5655

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

BDBM25121

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

BDBM31095

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

BDBM25117

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

BDBM26300

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

BDBM50355495

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

BDBM50306682

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

BDBM50132260

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

BDBM50359359

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

BDBM50360605

Fc1ccc2[nH]c(cc2c1)C(=O)N1C[C@]2(CCN(C2)C2CCCNC2)c2ccccc12 |r|

BDBM50360611

Fc1ccc2cc([nH]c2c1)C(=O)N1C[C@]2(CCN(C2)C2CCNC2)c2ccccc12 |r|

BDBM50360609

C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccccc3[nH]1)c1ccccc21 |r|

BDBM50360610

C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccc(F)cc3[nH]1)c1ccccc21 |r|

BDBM50361089

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1

BDBM50361088

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1

BDBM50222913

CC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1

BDBM50224883

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

BDBM50376344

Nc1ncnc2NCCC(=Nc12)c1ccccc1 |c:9|

BDBM50376346

Nc1nc(N)c2N=C(CCNc2n1)c1cccc(Cl)c1 |c:6|

BDBM50376349

Cc1ccc(cc1)C1=Nc2c(N)ncnc2NCC1 |t:8|

BDBM50376350

Cc1cccc(c1)C1=Nc2c(N)ncnc2NCC1 |t:8|

BDBM50376351

Nc1nc(N)c2N=C(CCNc2n1)c1ccccc1 |c:6|

BDBM50376347

Nc1ncnc2NCCC(=Nc12)c1ccc(Cl)cc1 |c:9|

BDBM50376345

Nc1nc(N)c2N=C(CCNc2n1)c1ccc(Cl)cc1 |c:6|

BDBM50376348

Nc1ncnc2NCCC(=Nc12)c1cccc(Cl)c1 |c:9|

BDBM7533

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

BDBM27216

CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1

BDBM13531

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

BDBM50110208

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

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

BDBM50378657

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

BDBM50307987

CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C

BDBM27344

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

BDBM50389108

CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C3(CC3)C(F)(F)F)[nH]nc2C1(C)C)c1ccccc1 |r|

BDBM50389110

CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C3CCCCO3)[nH]nc2C1(C)C)c1ccccc1 |r|

BDBM50389112

CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccc(NCc5ccc(cc5)-c5ccccn5)cc4[nH]3)c2c1)c1ccccc1 |r|

BDBM50389114

CN(C)C[C@@H](N(C)C(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|

BDBM50389115

CN1CCN(C(C1)c1ccccc1)C(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C

BDBM50389116

CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|

BDBM50389117

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

BDBM50389118

CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccccc3F)[nH]nc2C1(C)C)c1ccccc1 |r|

BDBM50389119

CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(F)cc3F)[nH]nc2C1(C)C)c1ccccc1 |r|

BDBM50389120

CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccn3)[nH]nc2C1(C)C)c1ccccc1 |r|

BDBM50389122

CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C3CCCO3)[nH]nc2C1(C)C)c1ccccc1 |r|

BDBM50389123

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

BDBM50401152

CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1

BDBM50425829

c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl

BDBM50425830

Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c1

BDBM50425861

COc1ccccc1CNc1ncc(C(=O)NC2CCN(C)CC2)c(NC2CCCC2)n1

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,)|

BDBM50425865

CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1

BDBM50429477

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

BDBM50442757

CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1

BDBM50442758

CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1

BDBM50442759

CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1

BDBM50442760

CN1CCC(CC1)NC(=O)c2cc(on2)c3c(cc(cc3Oc4ccc(cc4)[N+](=O)[O-])O)O

BDBM50448769

Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(O)CC1CC1

BDBM50448776

Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(O)c1ncccn1

BDBM50448781

Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC1(O)CCCOC1

BDBM50448782

Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC1(O)COC1

BDBM50448783

Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(O)CO

BDBM50448784

Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(C)CO

BDBM50448772

COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC(C)(C)O

BDBM50448773

CC(C)(O)C#Cc1ccc2cnn(-c3ccnc(N)n3)c2c1

BDBM50448774

CC(C)(O)C#Cc1ccc2cnn(-c3cc(N)ncn3)c2c1

BDBM50448777

Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#C[C@@](C)(O)c1nccs1 |r|

BDBM50448778

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2nc(C)n(-c3ncnc(N)n3)c2c1 |r|

BDBM50448779

Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#C[C@@]1(O)C[C@@H]2CC[C@H]1C2 |r|

BDBM50021626

CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1

BDBM50021618

CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|

BDBM50043013

CNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#C[C@@](C)(O)c1cc(C)on1 |r|

BDBM50043014

CCNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#C[C@@](C)(O)c1cc(C)on1 |r|

BDBM50048357

c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N

BDBM50048362

Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1

BDBM50048364

OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1

BDBM50048365

c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2

BDBM50048374

CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1

BDBM50076185

c1cc2cc[nH]c2c(c1)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N

BDBM50096231

CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CC2)n1

BDBM50096232

Clc1c(CNc2nccc(Nc3cc([nH]n3)C3CCCO3)n2)ccc2[nH]cnc12

BDBM50096233

CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CCC(=O)C2)n1

BDBM50096234

COCC(C)c1cc(Nc2ccnc(n2)N(C)Cc2ccc3[nH]cnc3c2Cl)n[nH]1

BDBM50096235

CN(Cc1cc(Nc2ccnc(n2)N(C)Cc2ccc3[nH]cnc3c2Cl)n[nH]1)C(C)=O

BDBM50096236

CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)[C@@H]2CCN(C)C2=O)n1 |r|

BDBM50096228

CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r|

BDBM50096237

CN1CC[C@@H](C1=O)c1cc(Nc2ccnc(NC[C@H]3CC[C@H](N)CC3)n2)n[nH]1 |r,wU:18.18,4.7,wD:21.22,(3.92,-10.74,;4.08,-9.51,;5.43,-8.77,;5.14,-7.26,;3.62,-7.09,;2.96,-8.46,;1.74,-8.68,;2.99,-5.68,;1.49,-5.37,;1.34,-3.85,;0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,-.77,;2.72,-3.21,;3.76,-4.35,)|

BDBM50096229

CN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r,wU:3.2,21.22,wD:6.6,(-2.67,2.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.14,-7.26,;5.43,-8.77,;4.08,-9.51,;3.92,-10.74,;2.96,-8.46,;1.74,-8.68,;-1.33,-.77,)|

BDBM50096230

CCN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r,wU:4.3,22.23,wD:7.7,(-3.74,3.69,;-2.68,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.14,-7.26,;5.43,-8.77,;4.08,-9.51,;3.92,-10.74,;2.96,-8.46,;1.74,-8.68,;-1.33,-.77,)|

BDBM50096238

CN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)C2CCCN(C)C2=O)n1 |r,wU:3.2,wD:6.6,(-2.67,2.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.17,-7.12,;5.9,-8.48,;5.1,-9.79,;3.56,-9.75,;2.91,-10.8,;2.82,-8.4,;1.59,-8.37,;-1.33,-.77,)|

BDBM50096239

CCN1CC[C@@H](C1=O)c1cc(Nc2ccnc(n2)N(C)C[C@H]2CC[C@H](N)CC2)n[nH]1 |r,wU:21.22,5.8,wD:24.26,(4.87,-11.79,;3.88,-11.04,;4.08,-9.51,;5.43,-8.77,;5.14,-7.26,;3.62,-7.09,;2.96,-8.46,;1.74,-8.68,;2.99,-5.68,;1.49,-5.37,;1.34,-3.85,;0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,1.54,;-2.67,2.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;2.72,-3.21,;3.76,-4.35,)|

BDBM50096240

C[C@H]1CN(C)C(=O)[C@@H]1c1cc(Nc2ccnc(n2)N(C)C[C@H]2CC[C@H](N)CC2)n[nH]1 |r,wU:21.22,7.8,wD:24.26,1.0,(1.74,-8.68,;2.96,-8.46,;4.08,-9.51,;5.43,-8.77,;6.54,-9.3,;5.14,-7.26,;5.98,-6.36,;3.62,-7.09,;2.99,-5.68,;1.49,-5.37,;1.34,-3.85,;0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,1.54,;-2.67,2.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;2.72,-3.21,;3.76,-4.35,)|

BDBM50096241

CN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)C2C(=O)N(C)CC2(C)C)n1 |r,wU:3.2,wD:6.6,(-2.67,2.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.14,-7.26,;5.98,-6.36,;5.43,-8.77,;6.54,-9.3,;4.08,-9.51,;2.96,-8.46,;2.17,-7.51,;2.56,-9.62,;-1.33,-.77,)|

BDBM50097130

CC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2ccccc2n1

BDBM50097128

CCN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CC2)n1

BDBM50097135

Clc1c(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)ccc2[nH]cnc12

BDBM50097136

Fc1c(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)ccc2[nH]cnc12

BDBM50097134

C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]cnc2c1 |r|

BDBM50097137

Cn1cnc2ccc(CNc3nccc(Nc4cc([nH]n4)C4CC4)n3)cc12

BDBM50097138

Cn1cnc2cc(CNc3nccc(Nc4cc([nH]n4)C4CC4)n3)ccc12

BDBM50097139

C(Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]cnc2c1

BDBM50097133

C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2c1 |r|

BDBM50097140

C(Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2c1

BDBM50097141

CN(C)c1ccc(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)cn1

BDBM50097142

CNc1ccc(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)cn1

BDBM50097143

Nc1ccc(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)cn1

BDBM50097144

N[C@H]1CC[C@@H](CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)CC1 |r,wU:4.4,1.0,(-1.34,-9.7,;-1.34,-8.47,;-2.68,-7.7,;-2.68,-6.16,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,3.08,;-3.91,3.97,;-3.43,5.43,;-1.89,5.43,;-1.42,3.96,;-4.33,6.68,;-5.62,7.36,;-4.29,8.14,;-1.33,-.77,;-.01,-6.16,;-.01,-7.7,)|

BDBM50097132

N[C@H]1CC[C@H](CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)CC1 |r,wU:4.4,wD:1.0,(-1.34,-9.7,;-1.34,-8.47,;-.01,-7.7,;-.01,-6.16,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,3.08,;-3.91,3.97,;-3.43,5.43,;-1.89,5.43,;-1.42,3.96,;-4.33,6.68,;-5.62,7.36,;-4.29,8.14,;-1.33,-.77,;-2.68,-6.16,;-2.68,-7.7,)|

BDBM50097145

N[C@H]1CC[C@@H](CC1)Nc1nccc(Nc2cc([nH]n2)C2CC2)n1 |r,wU:1.0,wD:4.7,(-5.08,-5.99,;-4.01,-5.38,;-4.01,-3.84,;-2.67,-3.07,;-1.34,-3.85,;-1.34,-5.39,;-2.68,-6.15,;-0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,3.08,;-3.91,3.97,;-3.43,5.43,;-1.89,5.43,;-1.42,3.96,;-4.33,6.68,;-5.62,7.36,;-4.29,8.14,;-1.33,-.77,)|

BDBM50097146

C(Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)C1CCNCC1

BDBM50097147

NC1CCN(CC1)c1cc(Nc2cc([nH]n2)C2CC2)ccn1

BDBM50097148

NC1CCN(CC1)c1cccc(Nc2cc([nH]n2)C2CC2)n1

BDBM50097149

NC1CCN(CC1)c1nccc(Nc2cc([nH]n2)C2CC2)n1

BDBM50097119

NC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2occc2n1

BDBM50097127

c1csc2c1nc(nc2Nc3cc([nH]n3)C4CC4)N5CCC(CC5)N

BDBM138348

c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F

BDBM50112352

CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N[C@H]4CCN(C4)C(=O)NC(C)(C)C)Cl

BDBM50112350

CCN1c2ccc(F)cc2N=C(N[C@H]2CCN(C2)C(=O)OC(C)(C)C)c2cc(Cl)ccc12 |r,t:11|

BDBM50112351

CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N4CCN(CC4)C)Cl

BDBM50112354

Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12

BDBM50123803

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

BDBM50135286

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

BDBM50166864

CC(C)c1nn(C)cc1-c1nc2cc(Br)cnc2[nH]1

BDBM158154

CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F

BDBM50185821

C(Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2n1

BDBM50204290

Cn1cc(cn1)c2c3c(c(c(n2)N[C@@H]4CCCC[C@@H]4N)F)CNC3=O

BDBM50235816

CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12

BDBM50235820

FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12

BDBM50235833

Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5

BDBM50235830

CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1

BDBM50235817

FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12

BDBM50237796

Clc1ccc2nc(Nc3cc(Cl)c4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1

BDBM50237797

Clc1ccc2c(Nc3ccc4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)nc2c1

BDBM50237828

C(Cc1c[nH]c2ccccc12)Nc1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1

BDBM50237829

Clc1ccc2nc(Nc3cc(Br)c4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1

BDBM50237831

Clc1ccc2nc(NCCc3c[nH]c4ccccc34)nc(Nc3ccc4[nH]ncc4c3)c2c1

BDBM50237815

Fc1ccc2nc(NCCc3c[nH]c4ccccc34)nc(Nc3ccc4[nH]ncc4c3)c2c1

BDBM50237818

Fc1ccc2nc(Nc3ccc4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1

BDBM50237816

Brc1ccc2nc(NCCc3c[nH]c4ccccc34)nc(Nc3ccc4[nH]ncc4c3)c2c1

BDBM50237817

Clc1ccc2nc(Nc3ccc4[nH]nnc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1

BDBM50237826

Clc1ccc2nc(Nc3ccc4NC(=O)Cc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1

BDBM50237813

Clc1ccc2c(NCCc3c[nH]c4ccccc34)nc(Nc3ccc4[nH]ncc4c3)nc2c1

BDBM50237824

COc1ccc2c(Nc3ccc4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)nc2c1

BDBM50237825

Cc1cc(Nc2nc(NCCc3c[nH]c4ccccc34)c3cc(Cl)ccc3n2)cc2cn[nH]c12

BDBM50237814

Clc1ccc2nc(Nc3cnc4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1

BDBM50237823

COc1ccc2nc(Nc3ccc4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1

BDBM50237821

Brc1ccc2nc(Nc3ccc4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1

BDBM50237819

Clc1ccc2nc(Nc3ccc4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1

BDBM50237820

COc1ccc2nc(NCCc3c[nH]c4ccccc34)nc(Nc3ccc4[nH]ncc4c3)c2c1

BDBM50237834

Clc1ccc2nc(Nc3ccc4cn[nH]c4c3)nc(NCCc3c[nH]c4ccccc34)c2c1

BDBM50237822

Clc1ccc2nc(Nc3ccc4[nH]cnc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1

BDBM50237833

COc1ccc2c(NCCc3c[nH]c4ccccc34)nc(Nc3ccc4[nH]ncc4c3)nc2c1

BDBM50237827

C(Cc1c[nH]c2ccccc12)Nc1nc(Nc2ccc3[nH]ncc3c2)nc2ccccc12