SMILES for BDNF/NT-3 growth factors receptor

637 SMILES Strings for BDNF/NT-3 growth factors receptor

Compound Name

SMILES String

BDBM50505015

Brc1cc(ccc1Oc1ccccc1)-n1c(=O)[nH]c(=O)n(-c2ccccc2)c1=O

BDBM50502928

Brc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1

BDBM50502880

Brc1cccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)c1

BDBM50565299

C(Nc1ccc2[nH]nc(\C=C\c3ccccn3)c2c1)c1ccccc1

BDBM50575344

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(O)ccc2F)c2c(N)ncnc12 |r,wU:11.14,9.9,(5.38,-23.19,;6.89,-22.87,;7.92,-24.01,;7.36,-21.4,;6.33,-20.26,;6.8,-18.8,;8.31,-18.48,;9.35,-19.61,;8.87,-21.08,;8.78,-17.01,;8.08,-15.64,;9.45,-14.94,;10.15,-16.31,;9.91,-13.47,;9,-12.23,;9.9,-10.98,;9.42,-9.52,;10.45,-8.37,;9.97,-6.91,;11,-5.76,;8.46,-6.59,;7.43,-7.75,;7.92,-9.21,;6.9,-10.36,;11.37,-11.45,;12.7,-10.67,;12.7,-9.13,;14.04,-11.43,;14.05,-12.98,;12.71,-13.76,;11.37,-12.99,)|

BDBM50525713

CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)Nc1cc(nn1-c1ccccc1)C(C)(C)C

BDBM50584733

CC(C)(C)NC(=O)Nc1ccc(Nc2ncnc3NC(=O)C(C)(C)Oc23)cc1

BDBM50402020

CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O

BDBM50525706

CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(cc2)-n2cnnn2)n(n1)-c1ccccc1

BDBM50525712

CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(cc2)C#N)n(n1)-c1ccccc1

BDBM50525716

CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc3C(=O)N4CCCC4Nc3c2)n(n1)-c1ccccc1

BDBM50525718

CC(C)(C)c1cc(NC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)n(n1)-c1ccccc1

BDBM50525711

CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3cccnc3)n2C2CC2)n(n1)-c1ccccc1

BDBM50525709

CC(C)(C)c1cc(NC(=O)CSc2nnnn2-c2ccccc2)n(n1)-c1ccccc1

BDBM50584706

CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NC(=O)C(C)(C)Oc34)c3ccccc23)n(n1)-c1ccccc1

BDBM50584704

CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NC(=O)C(C)(C)Oc34)cc2)n(n1)-c1ccccc1

BDBM50584702

CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NC(=O)C(C)(C)Oc34)cc2)n(n1)C(C)(C)C

BDBM50584703

CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NC(=O)C(C)(C)Oc34)cc2)n(n1)C1CCCCC1

BDBM50584700

CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NC(=O)C(C)(C)Oc34)cc2)no1

BDBM50584701

CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NC(=O)C(C)(C)Oc34)cc2)on1

BDBM50584709

CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NC(=O)C(C)(C)Oc34)cc2C(F)(F)F)n(n1)-c1ccccc1

BDBM50584707

CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NC(=O)C(C)(C)Oc34)cc2F)n(n1)-c1ccccc1

BDBM50563891

CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1

BDBM50300690

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

BDBM50584705

CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ncnc4NC(=O)C(C)(C)Oc34)c2)n(n1)-c1ccccc1

BDBM50525721

CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc3ncsc3c2)cc1

BDBM5931

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

BDBM50550245

CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cnc(N)nc12

BDBM50550246

CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnc(N)nc12

BDBM226354

CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1

BDBM50457827

CC(C)(O)COc1ccc(C(N)=O)c(O[C@H]2CCN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|

BDBM50379186

CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12

BDBM50549321

CC(C)N(C(C)C)C(=O)Nc1cnn2ccc(N[C@H](C)c3cc(F)ccc3F)nc12 |r|

BDBM50549311

CC(C)N(C(C)C)C(=O)Nc1cnn2ccc(nc12)N(C)[C@H](C)c1cc(F)ccc1F |r|

BDBM50512439

CC(C)N1Cc2cc(OCCCNC(=O)c3cnn4ccc1nc34)c(F)cc2F

BDBM50512442

CC(C)N1Cc2cc(O[C@@H](C)CNC(=O)c3cnn4cc1cnc34)cc(F)c2Cl |r|

BDBM50396243

CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(21.34,-25.87,;19.83,-25.56,;19.35,-24.09,;18.81,-26.7,;17.3,-26.39,;16.27,-27.53,;16.82,-24.92,;15.31,-24.6,;14.83,-23.15,;15.87,-22,;17.37,-22.31,;17.85,-23.77,;15.38,-20.54,;16.29,-19.28,;17.83,-19.27,;18.59,-17.94,;17.81,-16.61,;20.13,-17.93,;20.9,-19.25,;22.44,-19.25,;23.2,-17.91,;24.74,-17.9,;22.42,-16.57,;20.88,-16.59,;15.37,-18.03,;13.9,-18.52,;12.56,-17.76,;11.23,-18.53,;11.23,-20.07,;9.9,-20.84,;8.56,-20.07,;8.56,-18.53,;7.24,-17.76,;5.9,-18.52,;5.9,-20.06,;7.23,-20.84,;4.56,-17.74,;3.79,-16.41,;5.33,-16.4,;3.23,-18.51,;12.56,-20.84,;13.9,-20.07,)|

BDBM50436850

CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

BDBM50392788

CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 |r|

BDBM50505012

CC(C)Oc1cc(ccc1Oc1ccccc1)-n1c(=O)[nH]c(=O)n(-c2ccccc2)c1=O

BDBM50513623

CC(C)c1c(cccc1C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)C#Cc1cnc2cnccn12

BDBM50512429

CC(C)c1cc(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)cc3Cl)c2)c2c(N)ncnn12

BDBM50512430

CC(C)c1cc(C(=O)c2cccc(NC(=O)Nc3ccc(OCc4ccccc4)cc3)c2)c2c(N)ncnn12

BDBM50512422

CC(C)c1cc(C(=O)c2cccc(NC(=O)Nc3ccc4ccccc4c3)c2)c2c(N)ncnn12

BDBM50512434

CC(C)c1cc(C(=O)c2cccc(NC(=O)Nc3ccccc3)c2)c2c(N)ncnn12

BDBM50513637

CC(C)c1cc(CN2CCN(C)CC2)cc(NC(=O)c2cccc(C#Cc3cnc4cnc(cn34)-c3ccc(N)cc3)c2C)c1

BDBM50528528

CC(C)c1cc(NC(=O)c2ccc3C[C@H](Cc3c2)N(C)c2cncnc2)cc(c1)-n1cnc(C)c1 |r|

BDBM50368452

CC(C)c1ccc(cc1C#Cc1cnc2cnccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F

BDBM50550241

CC(C)n1cc(C(=O)c2ccnc(NC(=O)Nc3ccc(F)cc3F)c2)c2c(N)ncnc12

BDBM50550243

CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2c(N)ncnc12

BDBM134787

CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cnc(N)nc12

BDBM134606

CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc12

BDBM50550244

CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(cc3)C#N)c2)c2c(N)ncnc12

BDBM134608

CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(cc3)C#N)c2)c2cncnc12

BDBM186364

CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C(F)(F)F)c2)c2cnccc12

BDBM134790

CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C3CC3)c2)c2cnc(N)nc12

BDBM186432

CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C3CC3)c2)c2cncc(F)c12

BDBM186369

CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C3CC3)c2)c2cnccc12

BDBM134627

CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C3CC3)c2)c2cncnc12

BDBM36409

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

BDBM50584737

CC(C)n1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3NC(=O)C(C)(C)Oc23)cc1)C(C)(C)C

BDBM24773

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

BDBM50577788

CC1(C)N(Cc2cc(F)cc(F)c2)Cc2c(NC(=O)c3ccc(cc3)N3CCOCC3)n[nH]c12

BDBM50577794

CC1(C)N(Cc2cc(F)cc(F)c2)Cc2c(NC(=O)c3cccc(c3)N3CCOCC3)n[nH]c12

BDBM50577787

CC1(C)N(Cc2cccc(F)c2F)Cc2c(NC(=O)c3ccc(cc3)N3CCOCC3)n[nH]c12

BDBM50235816

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

BDBM50584731

CC1(C)Oc2c(Nc3ccc(NC(=O)NC4CCCCC4)cc3)ncnc2NC1=O

BDBM50584734

CC1(C)Oc2c(Nc3ccc(NC(=O)NCC=C)cc3)ncnc2NC1=O

BDBM50584699

CC1(C)Oc2c(Nc3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)ncnc2NC1=O

BDBM50584697

CC1(C)Oc2c(Nc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)ncnc2NC1=O

BDBM50584729

CC1(C)Oc2c(Nc3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3)ncnc2NC1=O

BDBM50584730

CC1(C)Oc2c(Nc3ccc(NC(=O)Nc4ccc(cc4)C#N)cc3)ncnc2NC1=O

BDBM50584728

CC1(C)Oc2c(Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)ncnc2NC1=O

BDBM50584698

CC1(C)Oc2c(Nc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)ncnc2NC1=O

BDBM50593027

CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(OCC2CC2)ccn1

BDBM50525729

CCC(C)c1ccc(NC(=O)COC(=O)c2ccc3ncsc3c2)cc1

BDBM50549323

CCC(CO)NC(=O)Nc1cnn2ccc(N[C@H](C)c3cc(F)ccc3F)nc12 |r|

BDBM50549313

CCC(CO)NC(=O)Nc1cnn2ccc(nc12)N(C)[C@H](C)c1cc(F)ccc1F |r|

BDBM164926

CCC(Oc1ccc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)cc1OC)c1ccc(OC)nc1

BDBM314765

CCC(c1ccc(OCc2ccc(nc2)C(F)(F)F)c(OC)c1)n1c(N)nc2cc(cnc12)-c1cnn(C)c1

BDBM50528530

CCCN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|

BDBM50235830

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

BDBM25617

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

BDBM50469353

CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)|

BDBM497267

CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.12,wD:3.3,16.16,(-8.93,-2.23,;-7.59,-1.46,;-6.26,-2.23,;-4.93,-1.46,;-4.93,.08,;-3.59,-2.23,;-2.26,-1.46,;-2.26,.08,;-.93,.85,;.41,.08,;1.87,.56,;2.78,-.69,;1.87,-1.94,;2.35,-3.4,;3.85,-3.72,;4.33,-5.19,;3.3,-6.33,;3.78,-7.79,;1.79,-6.01,;1.32,-4.55,;.41,-1.46,;-.93,-2.23,;2.35,2.02,;3.85,2.34,;4.33,3.81,;3.3,4.95,;1.79,4.63,;1.32,3.16,;3.78,6.41,;3.04,7.77,;5.26,6.02,;6.35,7.1,;7.84,6.71,;8.93,7.79,;8.24,5.22,;7.15,4.13,;7.55,2.64,;5.66,4.53,)|

BDBM50513635

CCCc1c(cccc1C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)C#Cc1cnc2cnccn12

BDBM4814

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

BDBM50384724

CCN(CC)CCNC(=O)c1c[nH]c(\C=C2/C(=O)Nc3cc(Nc4cccc(NC(=O)c5cc(cc(c5)C(F)(F)F)N5CCN(C)CC5)c4)ccc23)c1

BDBM26300

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

BDBM50528537

CCN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|

BDBM50355393

CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1

BDBM31085

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

BDBM50512432

CCN1CCN(Cc2ccc(NC(=O)Nc3nc4ccc(Oc5ccnc(c5)C(=O)NC)cc4s3)cc2C(F)(F)F)CC1

BDBM50584735

CCNC(=O)Nc1ccc(Nc2ncnc3NC(=O)C(C)(C)Oc23)cc1

BDBM50502868

CCOC(=O)c1ccccc1NC(=O)Nc1nnc(SCc2cc(=O)n3ccc(C)cc3n2)s1

BDBM50502938

CCOC(=O)c1ccccc1NC(=O)Nc1nnc(SCc2cc(=O)n3cccc(C)c3n2)s1

BDBM50505016

CCOc1cc(ccc1Oc1ccccc1)-n1c(=O)[nH]c(=O)n(-c2ccccc2)c1=O

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

BDBM50525727

CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc(nn1-c1ccccc1)C(C)(C)C

BDBM50502942

CCOc1ccccc1NC(=O)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1

BDBM50502930

CCOc1ccccc1NC(=O)Nc1ccc(CCc2nc3ccccc3n2C)cc1

BDBM50502911

CCOc1ccccc1NC(=O)Nc1ccc(CCc2nc3ccccc3n2CC)cc1

BDBM50502949

CCOc1ccccc1NC(=O)Nc1nnc(SCc2cc(=O)n3cccc(C)c3n2)s1

BDBM50232542

CCOc1nn(c(NC(=O)N[C@@H]2CN(CCOC)C[C@H]2c2ccc(F)c(F)c2)c1C)-c1ccccc1 |r|

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|

BDBM50513626

CCc1c(cccc1C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)C#Cc1cnc2cnccn12

BDBM50513633

CCc1cc(CN2CCN(C)CC2)cc(NC(=O)c2cccc(C#Cc3cnc4cnc(cn34)-c3ccc(N)cc3)c2C)c1

BDBM50528538

CCc1cc(NC(=O)c2ccc3C[C@H](Cc3c2)N(C)c2cncnc2)cc(c1)-n1cnc(C)c1 |r|

BDBM50502897

CCc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)cc1

BDBM50502967

CCc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)cc1

BDBM50502873

CCc1ccc(NC(=O)Nc2nnc(SCc3nc4ccccc4[nH]c3=O)s2)cc1

BDBM50532781

CCc1ccc2n(C)c(C)c(C(=O)Nc3ccc(Oc4ncnc5cc(OC)c(OC)cc45)c(F)c3)c(=O)c2c1

BDBM50502972

CCn1c(CCc2ccc(NC(=O)Nc3cc(C)cc(C)c3)cc2)nc2ccccc12

BDBM50502892

CCn1c(CCc2ccc(NC(=O)Nc3cc(C)ccc3OC)cc2)nc2ccccc12

BDBM50502908

CCn1c(CCc2ccc(NC(=O)Nc3cc(Cl)c(OC)cc3OC)cc2)nc2ccccc12

BDBM50502952

CCn1c(CCc2ccc(NC(=O)Nc3cc(Cl)ccc3OC)cc2)nc2ccccc12

BDBM50502889

CCn1c(CCc2ccc(NC(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2)nc2ccccc12

BDBM50502931

CCn1c(CCc2ccc(NC(=O)Nc3cc(OC)cc(OC)c3)cc2)nc2ccccc12

BDBM50502951

CCn1c(CCc2ccc(NC(=O)Nc3cc(OC)ccc3OC)cc2)nc2ccccc12

BDBM50502963

CCn1c(CCc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)nc2ccccc12

BDBM50502878

CCn1c(CCc2ccc(NC(=O)Nc3ccc(C)cc3)cc2)nc2ccccc12

BDBM50502921

CCn1c(CCc2ccc(NC(=O)Nc3ccc(C)cc3C)cc2)nc2ccccc12

BDBM50502925

CCn1c(CCc2ccc(NC(=O)Nc3ccc4OCOc4c3)cc2)nc2ccccc12

BDBM50502968

CCn1c(CCc2ccc(NC(=O)Nc3cccc(C)c3)cc2)nc2ccccc12

BDBM50502917

CCn1c(CCc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)nc2ccccc12

BDBM50502876

CCn1c(CCc2ccc(NC(=O)Nc3cccc(OC)c3)cc2)nc2ccccc12

BDBM50502961

CCn1c(CCc2ccc(NC(=O)Nc3cccc(SC)c3)cc2)nc2ccccc12

BDBM50502913

CCn1c(CCc2ccc(NC(=O)Nc3cccc(c3)C(C)=O)cc2)nc2ccccc12

BDBM50502983

CCn1c(CCc2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc2ccccc12

BDBM50502901

CCn1c(CCc2ccc(NC(=O)Nc3ccccc3F)cc2)nc2ccccc12

BDBM25013

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

BDBM50466038

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

BDBM50355499

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

BDBM50384722

CN(C)CCCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cc(Nc4cccc(NC(=O)c5cc(cc(c5)C(F)(F)F)N5CCN(C)CC5)c4)ccc23)c1C

BDBM50123803

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

BDBM50579500

CN(C)CCCOc1ccc2c(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)ncnc2c1

BDBM50512431

CN(C)CCCc1cc(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)cc3Cl)c2)c2c(N)ncnn12

BDBM50359359

CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C

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|

BDBM50563810

CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3cn(C)c4ccc(O)cc34)c2c1

BDBM50519662

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

BDBM50371215

CN(C)c1nc2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCCc1cc2)c1ccccc41)c1ccccc31 |t:11|

BDBM50510133

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

BDBM50347659

CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |r|

BDBM50565297

CN(Cc1cc(F)cc(F)c1)c1ccc2[nH]nc(\C=C\c3ccccn3)c2c1

BDBM50565298

CN(Cc1ccc2[nH]nc(\C=C\c3ccccn3)c2c1)c1cc(F)cc(F)c1

BDBM50092087

CN(Cc1ccccc1)c1ccc2ncc(-c3ccc(cc3)C#N)n2n1

BDBM50528534

CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(C)cc(c1)-n1cnc(C)c1)c1cncnc1 |r|

BDBM50528536

CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)-n1cnc(C)c1)C1CCCCC1)c1cncnc1 |r|

BDBM50528542

CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(C)(C)C)-n1cnc(C)c1)c1cncnc1 |r|

BDBM50528541

CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|

BDBM50528532

CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C12CC3CC(CC(C3)C1)C2)-n1cnc(C)c1)c1cncnc1 |r,TLB:18:20:23:27.25.26,THB:25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26|

BDBM50565288

CN(c1ccc2[nH]nc(\C=C\c3ccccn3)c2c1)c1cc(F)cc(F)c1

BDBM26474

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

BDBM50554332

CN1C(=O)CCC(N2C(=O)c3cccc(NCCCCCC(=O)N4CCN(CC4)c4cccc(n4)-c4cnc5ccc(nn45)N4CCC[C@@H]4c4cccc(F)c4)c3C2=O)C1=O |r|

BDBM50554333

CN1C(=O)CCC(N2C(=O)c3cccc(NCCOCCC(=O)N4CCN(CC4)c4cccc(n4)-c4cnc5ccc(nn45)N4CCC[C@@H]4c4cccc(F)c4)c3C2=O)C1=O |r|

BDBM50599662

CN1CCC(CC1)NC(=O)c1cccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)c1

BDBM50590471

CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc([nH]n1)-c1ccc2ncn(Cc3ccccc3)c2c1

BDBM50513238

CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cc2ccccc2s1

BDBM50513239

CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc2OC(F)(F)Oc2c1

BDBM50513229

CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc2OCCOc2c1

BDBM50513246

CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc2OCCc2c1

BDBM50513230

CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc2OCOc2c1

BDBM50565738

CN1CCN(CC(=O)Nc2nc(C)c(s2)-c2ccc3c(\C=C\c4ccccn4)n[nH]c3c2)CC1

BDBM13534

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

BDBM50384728

CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4cc(c[nH]4)C#N)C(=O)Nc3c2)c1

BDBM50384720

CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4cc(c[nH]4)C(O)=O)C(=O)Nc3c2)c1

BDBM50384734

CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1

BDBM158154

CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1

BDBM50577791

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(Cc1cc(F)cc(F)c1)C2(C)C

BDBM50577790

CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(Cc1cccc(F)c1F)C2(C)C

BDBM25118

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

BDBM50599660

CN1CCN(CC1)c1cccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)c1

BDBM50577798

CN1CCN(CC1)c1cccc(c1)C(=O)Nc1n[nH]c2c1CN(Cc1cc(F)cc(F)c1)C2(C)C

BDBM50585092

CN1CCN(CCNc2nccc(n2)-c2c(nc3sccn23)-c2cccc(O)c2)S1(=O)=O

BDBM50513632

CN1CCN(Cc2cc(C)cc(NC(=O)c3cccc(C#Cc4cnc5cnc(cn45)-c4ccc(N)cc4)c3C)c2)CC1

BDBM50513627

CN1CCN(Cc2cc(NC(=O)c3cc(C)cc(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1

BDBM50513624

CN1CCN(Cc2cc(NC(=O)c3cc(ccc3C)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1

BDBM50368552

CN1CCN(Cc2cc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1

BDBM50513634

CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5cnc(cn45)-c4ccc(N)cc4)c3C)cc(c2)-c2ccccc2)CC1

BDBM50513638

CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5cnc(cn45)-c4ccc(N)cc4)c3C)cc(c2)C(C)(C)C)CC1

BDBM50513628

CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5cnc(cn45)-c4ccc(N)cc4)c3C)cc(c2)C(F)(F)F)CC1

BDBM50513636

CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5cnc(cn45)-c4ccccc4)c3C)cc(c2)C(F)(F)F)CC1

BDBM50513625

CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5cnc(cn45)-c4ccncc4)c3C)cc(c2)C(F)(F)F)CC1

BDBM50513629

CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5cnccn45)c3C)cc(c2)C(F)(F)F)CC1

BDBM50513639

CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5cnccn45)c3Cl)cc(c2)C(F)(F)F)CC1

BDBM50513630

CN1CCN(Cc2cc(NC(=O)c3cccc(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1

BDBM50441567

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

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|

BDBM374713

CN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23

BDBM27817

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

BDBM472762

CNC(=O)c1c(N)nn2ccc(nc12)N1C[C@@H](F)C[C@@H]1c1cc(F)ccc1F |r|

BDBM16673

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

BDBM50571706

CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3Cl)n2)C(F)(F)F)cc1

BDBM418817

CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1

BDBM50571721

CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3OC)n2)C(F)(F)F)cc1

BDBM50588694

CNC(=O)c1ccc(cc1C(F)(F)F)-c1ccc(=O)n(CCc2ccc3ncc(cc3c2)-c2cnn(c2)C2CCOCC2)n1

BDBM25117

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

BDBM50457825

CNC(=O)c1cnc(N)c(O[C@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|

BDBM130909

CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM50599661

CNC1CCN(CC1)C(=O)c1cccc(Nc2ncc(Cl)c(NCc3cccc(F)c3)n2)c1

BDBM50132433

CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cn(C)c4ccc(OC)cc34)c2c1

BDBM2579

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

BDBM31096

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

BDBM50043380

CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F

BDBM50538508

COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1

BDBM50026612

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

BDBM50502912

COC(=O)c1ccccc1NC(=O)Nc1nnc(SCc2cc(=O)n3ccc(C)cc3n2)s1

BDBM50502954

COC(=O)c1ccccc1NC(=O)Nc1nnc(SCc2cc(=O)n3cccc(C)c3n2)s1

BDBM31340

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

BDBM50467574

COCCNCc1ccc(nc1)-c1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2s1

BDBM50505011

COCCOc1cc(ccc1Oc1ccccc1)-n1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1=O

BDBM50505005

COCCOc1cc(ccc1Oc1ccccc1)-n1c(=O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O

BDBM50505017

COCCOc1cc(ccc1Oc1ccccc1)-n1c(=O)[nH]c(=O)n(-c2cccc(C)c2)c1=O

BDBM50505010

COCCOc1cc(ccc1Oc1ccccc1)-n1c(=O)[nH]c(=O)n(-c2cccc(Cl)c2)c1=O

BDBM5446

COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

BDBM50578295

COCc1ccc(OC(F)(F)F)c(CNC(=O)Nc2c(nc3c(C)nccn23)-c2ccccc2)c1

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|

BDBM50309910

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

BDBM50513631

COc1c(cccc1C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)C#Cc1cnc2cnccn12

BDBM164944

COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(CC(F)(F)F)cc1

BDBM164941

COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(OC(F)(F)F)cc1

BDBM164942

COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(SC(F)(F)F)cc1

BDBM164940

COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(cc1)C(F)(F)C(F)(F)F

BDBM164929

COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(cc1)C(F)(F)F

BDBM164943

COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C(C)C

BDBM164928

COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C(F)(F)F

BDBM164930

COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C1CC1

BDBM164931

COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1csc(C)n1

BDBM164945

COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1csc(n1)C(F)(F)F

BDBM164912

COc1cc(Cn2cnc3cc(cnc23)-c2cnn(c2)C2CCNCC2)ccc1OCc1ccc(C)nc1

BDBM164965

COc1cc(Cn2cnc3cc(cnc23)C#CCCO)ccc1OCc1ccc(nc1)C(F)F

BDBM50565306

COc1cc(F)cc(CNc2ccc3[nH]nc(\C=C\c4ccccn4)c3c2)c1

BDBM50584713

COc1cc(NC(=O)Nc2cc(nn2-c2ccccc2)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12

BDBM50502879

COc1cc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc(OC)c1OC

BDBM50502875

COc1cc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc(OC)c1

BDBM50502932

COc1cc(NC(=O)Nc2nnc(SCc3cc(=O)n4ccc(C)cc4n3)s2)cc(OC)c1

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

BDBM50584712

COc1cc(Nc2ncnc3NC(=O)C(C)(C)Oc23)ccc1NC(=O)Nc1cc(nn1-c1ccccc1)C(C)(C)C

BDBM50502950

COc1cc(OC)c(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc1Cl

BDBM50505006

COc1cc(Oc2ccccc2)ccc1-n1c(=O)[nH]c(=O)n(-c2ccccc2)c1=O |(72.02,-7.51,;73.36,-8.28,;73.36,-9.82,;72.02,-10.6,;72.03,-12.14,;70.69,-12.91,;69.36,-12.15,;69.36,-10.61,;68.02,-9.84,;66.69,-10.61,;66.7,-12.16,;68.03,-12.92,;73.37,-12.91,;74.7,-12.13,;74.69,-10.6,;76.02,-9.82,;77.36,-10.59,;77.36,-12.13,;78.69,-9.82,;78.69,-8.28,;80.02,-7.52,;77.36,-7.5,;77.36,-5.96,;78.69,-5.19,;78.69,-3.65,;77.36,-2.88,;76.02,-3.66,;76.03,-5.2,;76.02,-8.28,;74.69,-7.52,)|

BDBM50355494

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

BDBM50022672

COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cc(nn2-c2ccccc2)C2CC2)nn1

BDBM482158

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

BDBM314764

COc1cc(ccc1OCc1ccc(cc1)C(F)(F)F)C(C)n1c(N)nc2cc(cnc12)-c1cn[nH]c1

BDBM314760

COc1cc(ccc1OCc1ccc(cc1)C(F)(F)F)C(C)n1c(N)nc2cc(cnc12)-c1cnn(C)c1

BDBM314763

COc1cc(ccc1OCc1ccc(cc1)C(F)(F)F)C(C)n1c(N)nc2cc(cnc12)-c1cnn(CCO)c1

BDBM164957

COc1cc(ccc1OCc1ccc(cc1)C(F)(F)F)[C@@H](C)n1c(N)nc2cc(cnc12)-c1cnn(C)c1 |r|

BDBM164956

COc1cc(ccc1OCc1ccc(cc1)C(F)(F)F)[C@H](C)n1c(N)nc2cc(cnc12)-c1cnn(C)c1 |r|

BDBM164962

COc1cc(ccc1OCc1ccc(nc1)C(F)(F)F)C(C)n1c(N)nc2cc(cnc12)-c1cnn(C)c1

BDBM314768

COc1cc(ccc1OCc1ccc(nc1)C(F)(F)F)C(C)n1c(N)nc2cc(cnc12)-c1cnn(CCO)c1

BDBM164964

COc1cc(ccc1OCc1ccc(nc1)C(F)(F)F)C(C)n1c(N)nc2cc(cnc12)C#CCCO

BDBM164952

COc1cc(ccc1OCc1ccc(nc1)C(F)(F)F)C(C)n1cnc2cc(ccc12)-c1ccc(F)cc1

BDBM164953

COc1cc(ccc1OCc1ccc(nc1)C(F)(F)F)C(C)n1cnc2cc(ccc12)-c1cnn(C)c1

BDBM164954

COc1cc(ccc1OCc1ccc(nc1)C(F)(F)F)C(C)n1cnc2cc(ccc12)C#CCCO

BDBM164961

COc1cc(ccc1OCc1ccc(nc1)C(F)(F)F)C(C)n1cnc2cc(cnc12)-c1cnn(C)c1

BDBM50505018

COc1cc(ccc1Oc1ccccc1)-n1c(=O)[nH]c(=O)n(-c2ccccc2)c1=O

BDBM164949

COc1cc2CCCC(Oc3ccc(Cn4c(N)nc5cc(cnc45)-c4cnn(C)c4)cc3OC)c2cn1

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

BDBM50502971

COc1ccc(C)cc1NC(=O)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1

BDBM50502933

COc1ccc(C)cc1NC(=O)Nc1nnc(SCc2cc(=O)n3cccc(C)c3n2)s1

BDBM164919

COc1ccc(COc2cc(F)c(Cn3cnc4cc(ccc34)N3CCN(C)CC3)cc2OC)cn1

BDBM32362

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

BDBM164889

COc1ccc(COc2ccc(Cn3c(N)nc4cc(ccc34)-c3ccc(nc3)P(C)(C)=O)cc2OC)cc1

BDBM164887

COc1ccc(COc2ccc(Cn3c(N)nc4cc(ccc34)-c3ccncc3)cc2OC)cc1

BDBM164886

COc1ccc(COc2ccc(Cn3c(N)nc4cc(ccc34)-c3cncnc3)cc2OC)cc1

BDBM164885

COc1ccc(COc2ccc(Cn3c(N)nc4cc(ccc34)-c3cnn(C)c3)cc2OC)cc1

BDBM164888

COc1ccc(COc2ccc(Cn3c(N)nc4cc(ccc34)-c3cnn(CCN4CCOCC4)c3)cc2OC)cc1

BDBM164918

COc1ccc(COc2ccc(Cn3c(N)nc4cc(ccc34)N3CCN(C)CC3)cc2OC)cn1

BDBM164900

COc1ccc(COc2ccc(Cn3c(N)nc4cc(ccc34)N3CCN(C)CC3=O)cc2OC)cn1

BDBM164936

COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)-c3c(C)nn(C)c3C)cc2OC)cn1

BDBM164933

COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)-c3ccc(F)cc3)cc2OC)cn1

BDBM164902

COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)-c3ccc(nc3)P(C)(C)=O)cc2OC)cc1

BDBM164932

COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)-c3ccccc3)cc2OC)cn1

BDBM164939

COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)-c3ccccn3)cc2OC)cn1

BDBM164938

COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)-c3cccnc3)cc2OC)cn1

BDBM164934

COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)-c3ccn(C)n3)cc2OC)cn1

BDBM164937

COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)-c3ccncc3)cc2OC)cn1

BDBM164935

COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)-c3cncnc3)cc2OC)cn1

BDBM164901

COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)-c3cnn(C)c3)cc2OC)cc1

BDBM164927

COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)-c3cnn(C)c3)cc2OC)cn1

BDBM164946

COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)C#CC3CCCCC3)cc2OC)cn1

BDBM164947

COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)C#CCCO)cc2OC)cn1

BDBM164890

COc1ccc(COc2ccc(Cn3cnc4cc(ccc34)-c3ccnnc3)cc2OC)cn1

BDBM164891

COc1ccc(COc2ccc(Cn3cnc4cc(ccc34)-c3cnn(c3)C3CCNCC3)cc2OC)cn1

BDBM164893

COc1ccc(COc2ccc(Cn3cnc4cc(ccc34)-c3nnc(o3)C3CCCNC3)cc2OC)cn1

BDBM164914

COc1ccc(COc2ccc(Cn3cnc4cc(ccc34)-c3noc(n3)C3CCNCC3)cc2OC)cn1

BDBM164892

COc1ccc(COc2ccc(Cn3cnc4cc(ccc34)-n3cc(nn3)C3CCCNC3)cc2OC)cn1

BDBM164923

COc1ccc(COc2ccc(Cn3cnc4cc(ccc34)C3=CC4(C)CN3CCC4)cc2OC)cn1 |t:24|

BDBM164925

COc1ccc(COc2ccc(Cn3cnc4cc(ccc34)C3=CC4(O)CN3CCC4)cc2OC)cn1 |t:24|

BDBM164894

COc1ccc(COc2ccc(Cn3cnc4cc(ccc34)C3CCNCC3)cc2OC)cn1

BDBM164895

COc1ccc(COc2ccc(Cn3cnc4cc(ccc34)C3CCOCC3)cc2OC)cn1

BDBM164897

COc1ccc(COc2ccc(Cn3cnc4cc(ccc34)N3CC4(C3)CCNCC4)cc2OC)cn1

BDBM164896

COc1ccc(COc2ccc(Cn3cnc4cc(ccc34)N3CCC(CC3)C(C)(C)N)cc2OC)cn1

BDBM164898

COc1ccc(COc2ccc(Cn3cnc4cc(ccc34)N3CCC(N)CC3)cc2OC)cn1

BDBM164899

COc1ccc(COc2ccc(Cn3cnc4cc(ccc34)N3CCN(C)CC3)cc2OC)cn1

BDBM164921

COc1ccc(COc2ccc(Cn3cnc4cc(ccc34)N3CCN(C)CC3=O)cc2OC)cn1

BDBM164911

COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)-c3cnn(c3)C3CCNCC3)cc2OC)cn1

BDBM164915

COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)-c3nnc(o3)C3CCNCC3)cc2OC)cn1

BDBM164913

COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)-c3noc(n3)C3CCNCC3)cc2OC)cn1

BDBM164916

COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)-n3cc(nn3)C(C)(C)N)cc2OC)cn1

BDBM164917

COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)-n3cc(nn3)C3CCCNC3)cc2OC)cn1

BDBM164922

COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)C3=CC4(C)CN3CCC4)cc2OC)cn1 |t:24|

BDBM164924

COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)C3=CC4(O)CN3CCC4)cc2OC)cn1 |t:24|

BDBM164908

COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)N3CC4(C3)CCNCC4)cc2OC)cn1

BDBM164904

COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)N3CCC(CC3)C(C)(C)N)cc2OC)cn1

BDBM164909

COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)N3CCC(N)CC3)cc2OC)cn1

BDBM164910

COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)N3CCC[C@H]3C(O)=O)cc2OC)cn1 |r|

BDBM164903

COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)N3CCN(C)CC3)cc2OC)cn1

BDBM164906

COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)N3CCN(CC3)C3CC3)cc2OC)cn1

BDBM164907

COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)N3CCN4CCC3CC4)cc2OC)cn1 |(-1.02,-9.85,;-1.79,-8.52,;-1.02,-7.18,;-1.79,-5.85,;-1.02,-4.52,;.52,-4.52,;1.61,-3.43,;1.21,-1.94,;2.3,-.85,;1.53,.48,;2.3,1.82,;3.84,1.82,;4.61,3.15,;3.84,4.48,;4.75,5.73,;3.84,6.97,;2.38,6.5,;1.04,7.27,;-.29,6.5,;-.29,4.96,;1.04,4.19,;2.38,4.96,;-1.62,7.27,;-2.9,6.4,;-4.37,6.86,;-4.93,8.29,;-4.16,9.62,;-2.64,9.85,;-1.51,8.8,;-2.53,9.45,;-3.25,8.29,;4.61,.48,;3.84,-.85,;4.93,-1.94,;4.53,-3.43,;1.29,-5.85,;.52,-7.18,)|

BDBM164905

COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)N3CCOCC3)cc2OC)cn1

BDBM164951

COc1ccc(COc2ccc(cc2OC)C(C)n2c(N)nc3cc(ccc23)-c2ccc(F)cc2)cn1

BDBM164950

COc1ccc(COc2ccc(cc2OC)C(C)n2c(N)nc3cc(ccc23)-c2cnn(C)c2)cn1

BDBM50502976

COc1ccc(Cl)cc1NC(=O)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1

BDBM50502943

COc1ccc(Cl)cc1NC(=O)Nc1ccc(CCc2nc3ccccc3n2C)cc1

BDBM50557929

COc1ccc(Cl)cc1NC(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1

BDBM12621

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

BDBM50525708

COc1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1OC

BDBM50502899

COc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)c(OC)c1

BDBM50502959

COc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)c(OC)c1

BDBM50502885

COc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4ccc(C)cc4n3)s2)cc1OC

BDBM50502947

COc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)cc1OC

BDBM14824

COc1ccc(Nc2nc(Nc3ccc(cc3)C(O)=O)ncc2Br)cc1

BDBM50502926

COc1ccc(OC)c(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)c1

BDBM50502960

COc1ccc(OC)c(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)c1

BDBM50502883

COc1ccc(OC)c(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)c1

BDBM50502956

COc1ccc(OC)c(NC(=O)Nc2nnc(SCc3cc(=O)n4ccc(C)cc4n3)s2)c1

BDBM50502903

COc1ccc(OC)c(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)c1

BDBM50508282

COc1ccc(cc1)-c1cc2cccc(O)c2c(=O)o1

BDBM50557931

COc1ccc(cc1)-n1ncc2c1ncn(CC(=O)Nc1cc(ccc1Cl)C(F)(F)F)c2=O

BDBM50525710

COc1ccc(cc1)-n1nnnc1SCC(=O)Nc1cc(nn1-c1ccccc1)C(C)(C)C

BDBM50513251

COc1ccc(cc1OC)-c1cc(NC(=O)c2ccc(NC3CCN(C)CC3)cc2)[nH]n1

BDBM50538507

COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12

BDBM50538509

COc1ccc(cc1OC)-c1cnn2c(N)c(-c3nccs3)c(OC3CCN(C)CC3)nc12

BDBM164968

COc1ccc(cn1)C(C)Oc1ccc(Cn2cnc3cc(cnc23)-c2ccc(OC)nc2)cc1OC

BDBM164969

COc1ccc(cn1)C(C)Oc1ccc(Cn2cnc3cc(cnc23)-c2ccnc(F)c2)cc1OC

BDBM164967

COc1ccc(cn1)C(C)Oc1ccc(Cn2cnc3cc(cnc23)-c2ccnn2C)cc1OC

BDBM164966

COc1ccc(cn1)C(C)Oc1ccc(Cn2cnc3cc(cnc23)-c2cnn(C)c2)cc1OC

BDBM164948

COc1ccc(cn1)C(Oc1ccc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)cc1OC)C1CC1

BDBM50073587

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1 |r|

BDBM50132445

COc1ccc2[nH]cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1

BDBM50132455

COc1ccc2n(C)cc(\C=C3/C(=O)Nc4ccc(cc34)S(=O)(=O)N(C)C)c2c1

BDBM50132450

COc1ccc2n(C)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1

BDBM50502953

COc1cccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)c1

BDBM50502978

COc1cccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)c1

BDBM50585069

COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1

BDBM435720

COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(cc2)C(F)(F)F)n1

BDBM50505008

COc1cccc(c1)-n1c(=O)[nH]c(=O)n(-c2ccc(Oc3ccccc3)cc2)c1=O

BDBM50092096

COc1ccccc1CNc1ccc2ncc(-c3ccc(cc3)C#N)n2n1

BDBM50502962

COc1ccccc1NC(=O)Nc1nnc(SCc2cc(=O)n3cc(C)ccc3n2)s1

BDBM50502970

COc1ccccc1NC(=O)Nc1nnc(SCc2cc(=O)n3ccc(C)cc3n2)s1

BDBM50502881

COc1ccccc1NC(=O)Nc1nnc(SCc2cc(=O)n3cccc(C)c3n2)s1

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

BDBM50584708

CSc1cc(Nc2ncnc3NC(=O)C(C)(C)Oc23)ccc1NC(=O)Nc1cc(nn1-c1ccccc1)C(C)(C)C

BDBM50502893

CSc1cccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)c1

BDBM50502929

CSc1cccc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)c1

BDBM50502869

CSc1cccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)c1

BDBM50502871

CSc1cccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)c1

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,)|

BDBM130912

C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)Cc3cc2[nH]1 |r|

BDBM130910

C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(Cc3cc2[nH]1)C1CCN(C)CC1 |r|

BDBM50549309

C[C@@H](N(C)c1ccn2ncc(NC(=O)N(C)CCN(C)C)c2n1)c1cc(F)ccc1F |r|

BDBM50549312

C[C@@H](N(C)c1ccn2ncc(NC(=O)N3CC(O)C3)c2n1)c1cc(F)ccc1F |r|

BDBM50549314

C[C@@H](N(C)c1ccn2ncc(NC(=O)N3CCCC(CO)C3)c2n1)c1cc(F)ccc1F |r|

BDBM50549310

C[C@@H](N(C)c1ccn2ncc(NC(=O)N3CCN(C)CC3)c2n1)c1cc(F)ccc1F |r|

BDBM50549316

C[C@@H](N(C)c1ccn2ncc(NC(=O)N3CC[C@H](O)C3)c2n1)c1cc(F)ccc1F |r|

BDBM50549315

C[C@@H](N(C)c1ccn2ncc(NC(=O)Nc3ccc(O)cc3)c2n1)c1cc(F)ccc1F |r|

BDBM50549307

C[C@@H](N(C)c1ccn2ncc(NC(=S)N3CC[C@H](O)C3)c2n1)c1cc(F)ccc1F |r|

BDBM50549308

C[C@@H](N(C)c1ccn2ncc(Nc3c(N4CC[C@H](O)C4)c(=O)c3=O)c2n1)c1cc(F)ccc1F |r|

BDBM50565310

C[C@@H](Nc1ccc2[nH]nc(\C=C\c3ccccn3)c2c1)c1cc(F)cc(F)c1 |r|

BDBM50549319

C[C@@H](Nc1ccn2ncc(NC(=O)N(C)CCN(C)C)c2n1)c1cc(F)ccc1F |r|

BDBM50549322

C[C@@H](Nc1ccn2ncc(NC(=O)N3CC(O)C3)c2n1)c1cc(F)ccc1F |r|

BDBM50549324

C[C@@H](Nc1ccn2ncc(NC(=O)N3CCCC(CO)C3)c2n1)c1cc(F)ccc1F |r|

BDBM50549320

C[C@@H](Nc1ccn2ncc(NC(=O)N3CCN(C)CC3)c2n1)c1cc(F)ccc1F |r|

BDBM50549326

C[C@@H](Nc1ccn2ncc(NC(=O)N3CC[C@H](O)C3)c2n1)c1cc(F)ccc1F |r|

BDBM50549325

C[C@@H](Nc1ccn2ncc(NC(=O)Nc3ccc(O)cc3)c2n1)c1cc(F)ccc1F |r|

BDBM50549317

C[C@@H](Nc1ccn2ncc(NC(=S)N3CC[C@H](O)C3)c2n1)c1cc(F)ccc1F |r|

BDBM50549318

C[C@@H](Nc1ccn2ncc(Nc3c(N4CC[C@H](O)C4)c(=O)c3=O)c2n1)c1cc(F)ccc1F |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|

BDBM50448785

C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1 |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|

BDBM50507492

C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(C(=O)N1)c3n2

BDBM50537742

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

BDBM50565309

C[C@H](Nc1ccc2[nH]nc(\C=C\c3ccccn3)c2c1)c1cc(F)cc(F)c1 |r|

BDBM50528539

C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|

BDBM374727

C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23 |r|

BDBM50018815

C[C@H]1Oc2cc(cnc2N)-c2c(C)nn(C)c2CN(C)C(=O)c2ccc(F)cc12 |r|

BDBM50018841

C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nc1ncc(C)cn21 |r|

BDBM50018830

C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N |r|

BDBM50018839

C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2CN(C)C(=O)c2ccc(F)cc12)C1CC1 |r|

BDBM50018842

C[C@H]1Oc2nc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nc1ccc(cn21)C#N |r|

BDBM50299148

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|

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|

BDBM50194715

Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(O)=N)c2[nH]c3cc(ccc3c12)C(C)(C)O

BDBM50502891

Cc1cc(C)cc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)c1

BDBM50502934

Cc1cc(C)cc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)c1

BDBM24694

Cc1cc(CNc2ncc(Br)c(Nc3cc(n[nH]3)C3CC3)n2)on1

BDBM50565305

Cc1cc(F)cc(CNc2ccc3[nH]nc(\C=C\c4ccccn4)c3c2)c1

BDBM50525704

Cc1cc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)n(n1)-c1ccc(C)cc1

BDBM50584724

Cc1cc(NC(=O)Nc2cc(nn2-c2c(F)c(F)c(F)c(F)c2F)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12 |(-6.52,.89,;-5.13,.12,;-3.8,.88,;-2.45,.08,;-1.13,.85,;.24,.12,;.21,-1.47,;1.53,.94,;2.92,.16,;3.1,-1.37,;4.62,-1.66,;5.35,-.31,;4.31,.83,;4.6,2.35,;6.04,2.86,;7.26,1.84,;6.33,4.38,;7.84,4.88,;5.19,5.39,;5.48,6.91,;3.75,4.88,;2.53,5.9,;3.46,3.36,;1.94,2.86,;5.29,-3.05,;6.82,-3.16,;4.53,-4.38,;6.06,-4.38,;-2.46,-1.44,;-3.79,-2.2,;-5.15,-1.48,;-6.48,-2.24,;-6.48,-3.76,;-7.84,-4.55,;-7.84,-6.07,;-6.52,-6.85,;-5.15,-6.13,;-3.83,-6.91,;-2.48,-6.12,;-1.16,-6.89,;-2.47,-4.6,;-1.93,-3.14,;-.92,-4.88,;-3.79,-3.82,;-5.16,-4.54,)|

BDBM50584720

Cc1cc(NC(=O)Nc2cc(nn2-c2ccc(Cl)cc2)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12

BDBM50584723

Cc1cc(NC(=O)Nc2cc(nn2-c2ccc(F)c(F)c2)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12

BDBM50584714

Cc1cc(NC(=O)Nc2cc(nn2-c2ccc(F)cc2)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12

BDBM50584719

Cc1cc(NC(=O)Nc2cc(nn2-c2ccc(OC(F)(F)F)cc2)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12

BDBM50584718

Cc1cc(NC(=O)Nc2cc(nn2-c2ccc(cc2)C(F)(F)F)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12

BDBM50584721

Cc1cc(NC(=O)Nc2cc(nn2-c2ccc3ccccc3c2)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12

BDBM50584715

Cc1cc(NC(=O)Nc2cc(nn2-c2cccc(F)c2)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12

BDBM50584725

Cc1cc(NC(=O)Nc2cc(nn2-c2ccccc2)-c2ccccc2)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12

BDBM50584711

Cc1cc(NC(=O)Nc2cc(nn2-c2ccccc2)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12

BDBM50584726

Cc1cc(NC(=O)Nc2cc(nn2-c2ccccc2)C2CC2)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12

BDBM50584716

Cc1cc(NC(=O)Nc2cc(nn2-c2ccccc2F)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12

BDBM50584722

Cc1cc(NC(=O)Nc2cc(nn2-c2cccnc2)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12

BDBM50503232

Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(n1)-c1ccccc1

BDBM50598103

Cc1cc(Nc2nc(NCc3cc(F)ccc3F)nc3ccccc23)n[nH]1

BDBM50598127

Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3cc(C)ccc23)n[nH]1

BDBM50598123

Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3cc(Cl)ccc23)n[nH]1

BDBM50598129

Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3cc(ccc23)C(F)(F)F)n[nH]1

BDBM50584710

Cc1cc(Nc2ncnc3NC(=O)C(C)(C)Oc23)ccc1NC(=O)Nc1cc(nn1-c1ccccc1)C(C)(C)C

BDBM50525707

Cc1cc(cc(n1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C(=O)NC(C)(C)C

BDBM50505007

Cc1cc(ccc1Oc1ccccc1)-n1c(=O)[nH]c(=O)n(-c2ccccc2)c1=O

BDBM50502924

Cc1ccc(C)c(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)c1

BDBM50502915

Cc1ccc(C)c(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)c1

BDBM50502948

Cc1ccc(C)c(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)c1

BDBM50502946

Cc1ccc(C)c(NC(=O)Nc2nnc(SCc3cc(=O)n4ccccc4n3)s2)c1

BDBM50502957

Cc1ccc(Cl)cc1NC(=O)Nc1nnc(SCc2cc(=O)n3cccc(C)c3n2)s1

BDBM21079

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

BDBM50384727

Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1

BDBM50502890

Cc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1Cl

BDBM50502916

Cc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1F

BDBM50502870

Cc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)cc1

BDBM50502920

Cc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc1Cl

BDBM50584727

Cc1ccc(NC(=O)Nc2ccc(Nc3ncnc4NC(=O)C(C)(C)Oc34)cc2)cc1

BDBM50502882

Cc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)c(Cl)c1

BDBM50502955

Cc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)cc1

BDBM50502923

Cc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(Cl)ccc4n3)s2)cc1C

BDBM50502958

Cc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(Cl)ccc4n3)s2)cc1F

BDBM50502874

Cc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)c(Cl)c1

BDBM50502944

Cc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)cc1

BDBM50502966

Cc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)cc1C

BDBM50502898

Cc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)cc1Cl

BDBM50502964

Cc1ccc(NC(=O)Nc2nnc(SCc3nc4ccccc4[nH]c3=O)s2)cc1

BDBM378885

Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|

BDBM50507491

Cc1ccc(NC(=O)c2ccc(cc2F)C(F)(F)F)c(n1)-c1ccc(F)cc1

BDBM50584717

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3NC(=O)C(C)(C)Oc23)c(C)c1)C(C)(C)C

BDBM13533

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

BDBM50598128

Cc1ccc2c(Nc3cc([nH]n3)C3CC3)nc(NCc3ccc(F)cc3F)nc2c1

BDBM50502900

Cc1ccc2nc(CSc3nnc(NC(=O)Nc4ccc(C)c(F)c4)s3)cc(=O)n2c1

BDBM50502888

Cc1ccc2nc(CSc3nnc(NC(=O)Nc4cccc(C)c4C)s3)cc(=O)n2c1

BDBM50502896

Cc1ccc2nc(CSc3nnc(NC(=O)Nc4cccc(c4)C(F)(F)F)s3)cc(=O)n2c1

BDBM50502918

Cc1ccc2nc(CSc3nnc(NC(=O)Nc4ccccc4C(F)(F)F)s3)cc(=O)n2c1

BDBM50502977

Cc1ccc2nc(CSc3nnc(NC(=O)Nc4ccccc4C)s3)cc(=O)n2c1

BDBM50502905

Cc1ccc2nc(CSc3nnc(NC(=O)Nc4ccccc4F)s3)cc(=O)n2c1

BDBM50502895

Cc1cccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)c1

BDBM50502969

Cc1cccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)c1

BDBM50502902

Cc1cccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)c1

BDBM50502877

Cc1cccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)c1C

BDBM50502981

Cc1ccccc1NC(=O)Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1

BDBM50502904

Cc1cccn2c1nc(CSc1nnc(NC(=O)Nc3ccc(F)cc3)s1)cc2=O

BDBM50502935

Cc1cccn2c1nc(CSc1nnc(NC(=O)Nc3ccc(F)cc3F)s1)cc2=O

BDBM50502906

Cc1cccn2c1nc(CSc1nnc(NC(=O)Nc3cccc(Cl)c3)s1)cc2=O

BDBM50502974

Cc1cccn2c1nc(CSc1nnc(NC(=O)Nc3cccc(F)c3)s1)cc2=O

BDBM50502919

Cc1cccn2c1nc(CSc1nnc(NC(=O)Nc3cccc(c3)C(F)(F)F)s1)cc2=O

BDBM50502884

Cc1cccn2c1nc(CSc1nnc(NC(=O)Nc3ccccc3)s1)cc2=O

BDBM50502936

Cc1cccn2c1nc(CSc1nnc(NC(=O)Nc3ccccc3F)s1)cc2=O

BDBM50502894

Cc1ccn2c(c1)nc(CSc1nnc(NC(=O)Nc3ccc(C)c(Cl)c3)s1)cc2=O

BDBM50502984

Cc1ccn2c(c1)nc(CSc1nnc(NC(=O)Nc3ccc(C)c(F)c3)s1)cc2=O

BDBM50502965

Cc1ccn2c(c1)nc(CSc1nnc(NC(=O)Nc3cccc(c3)C(F)(F)F)s1)cc2=O

BDBM50502927

Cc1ccn2c(c1)nc(CSc1nnc(NC(=O)Nc3ccccc3C(F)(F)F)s1)cc2=O

BDBM50502973

Cc1ccn2c(c1)nc(CSc1nnc(NC(=O)Nc3ccccc3F)s1)cc2=O

BDBM50237710

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

BDBM50528529

Cc1cn(cn1)-c1cc(NC(=O)c2ccc3CC(C)(Cc3c2)Nc2cncnc2)cc(c1)C(F)(F)F

BDBM50528540

Cc1cn(cn1)-c1cc(NC(=O)c2ccc3CN(Cc3c2)c2cncnc2)cc(c1)C(F)(F)F

BDBM50528531

Cc1cn(cn1)-c1cc(NC(=O)c2ccc3CN(Cc4cncnc4)Cc3c2)cc(c1)C(F)(F)F

BDBM50528535

Cc1cn(cn1)-c1cc(NC(=O)c2ccc3C[C@@H](Cc3c2)Nc2cncnc2)cc(c1)C(F)(F)F |r|

BDBM50528533

Cc1cn(cn1)-c1cc(NC(=O)c2ccc3C[C@H](Cc3c2)Nc2cncnc2)cc(c1)C(F)(F)F |r|

BDBM50384725

Cc1cn(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1

BDBM50332294

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

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM50235833

Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12

BDBM15138

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

BDBM13216

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

BDBM50557927

Cc1nc2nc(nn2c(C)c1CC(=O)Nc1cccc(c1)C(F)(F)F)-c1cccnc1

BDBM50507490

Cc1ncc(NC(=O)NC2c3ccccc3-c3ccccc23)c(n1)-c1ccccc1

BDBM50564363

Cl.Fc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1

BDBM50224883

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

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM24654

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

BDBM50502979

Clc1cccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)c1

BDBM50502941

Clc1cccc(NC(=O)Nc2nnc(SCc3nc4ccccc4[nH]c3=O)s2)c1

BDBM50505013

Cn1c(=O)[nH]c(=O)n(-c2ccc(Oc3ccccc3)c(OCC3COC3)c2)c1=O

BDBM50502907

Cn1c(CCc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nc2ccccc12

BDBM50502887

Cn1c(CCc2ccc(NC(=O)Nc3cccc(Br)c3)cc2)nc2ccccc12

BDBM50502986

Cn1c(CCc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)nc2ccccc12

BDBM50502922

Cn1c(CCc2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)nc2ccccc12

BDBM50502937

Cn1c(CCc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)nc2ccccc12

BDBM50502940

Cn1c(CCc2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc2ccccc12

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

BDBM50519419

Cn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc12

BDBM50396534

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

BDBM50128285

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

BDBM50399015

Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cc(Cl)ccc1Cl

BDBM50132436

Cn1cc(\C=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)c2ccccc12

BDBM50568968

Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)c2s1

BDBM50457824

Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O

BDBM50457829

Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O

BDBM50457828

Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O

BDBM50457839

Cn1cc(cn1)-c1ccc(O[C@@H]2CCN(C2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O |r|

BDBM50457838

Cn1cc(cn1)-c1ccc(O[C@H]2CCN(C2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O |r|

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM50512464

Cn1cc(cn1)-c1n[nH]c2ccc(NCc3cc(F)ccc3S(C)(=O)=O)cc12

BDBM50457837

Cn1cnc(c1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O

BDBM50457833

Cn1cnc(c1)-c1cnc(O[C@H]2CCN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O |r|

BDBM50355497

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

BDBM50584736

Cn1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3NC(=O)C(C)(C)Oc23)cc1)C(C)(C)C

BDBM50235817

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

BDBM50235820

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

BDBM50525705

FC(F)(F)Oc1ccc(NC(=O)COC(=O)c2ccc3ncsc3c2)cc1

BDBM50588695

FC(F)(F)c1cc-2ccc1C(=O)NCCCCn1cc(cn1)-c1cnc3ccc(CCn4nc-2ccc4=O)cc3c1

BDBM50525715

FC(F)(F)c1ccc(NC(=O)COC(=O)c2ccc3ncsc3c2)cc1

BDBM50502914

FC(F)(F)c1cccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)c1

BDBM50235587

FC(F)(F)c1cccc(NC(=O)Nc2nnc(SCc3nc4ccccc4[nH]c3=O)s2)c1

BDBM50565304

Fc1cc(Br)cc(CNc2ccc3[nH]nc(\C=C\c4ccccn4)c3c2)c1

BDBM50565308

Fc1cc(CNc2ccc3[nH]nc(\C=C\c4ccccn4)c3c2)cc(c1)C#N

BDBM50565307

Fc1cc(CNc2ccc3[nH]nc(\C=C\c4ccccn4)c3c2)cc(c1)C(F)(F)F

BDBM50565303

Fc1cc(Cl)cc(CNc2ccc3[nH]nc(\C=C\c4ccccn4)c3c2)c1

BDBM50565289

Fc1cc(F)cc(CCc2ccc3[nH]nc(\C=C\c4ccccn4)c3c2)c1

BDBM50565295

Fc1cc(F)cc(CNc2ccc3[nH]nc(\C=C\c4ccccn4)c3c2)c1

BDBM50565293

Fc1cc(F)cc(COc2ccc3[nH]nc(\C=C\c4ccccn4)c3c2)c1

BDBM50565283

Fc1cc(F)cc(Cc2ccc3[nH]nc(\C=C\c4ccccn4)c3c2)c1

BDBM50565291

Fc1cc(F)cc(NC(=O)c2ccc3[nH]nc(\C=C\c4ccccn4)c3c2)c1

BDBM50565296

Fc1cc(F)cc(NCc2ccc3[nH]nc(\C=C\c4ccccn4)c3c2)c1

BDBM50565287

Fc1cc(F)cc(Nc2ccc3[nH]nc(\C=C\c4ccccn4)c3c2)c1

BDBM50565294

Fc1cc(F)cc(OCc2ccc3[nH]nc(\C=C\c4ccccn4)c3c2)c1

BDBM50565286

Fc1cc(F)cc(Oc2ccc3[nH]nc(\C=C\c4ccccn4)c3c2)c1

BDBM50565285

Fc1cc(F)cc(Sc2ccc3[nH]nc(\C=C\c4ccccn4)c3c2)c1

BDBM50565284

Fc1cc(F)cc(c1)-c1ccc2[nH]nc(\C=C\c3ccccn3)c2c1

BDBM50565290

Fc1cc(F)cc(c1)C#Cc1ccc2[nH]nc(\C=C\c3ccccn3)c2c1

BDBM50565292

Fc1cc(F)cc(c1)C(=O)Nc1ccc2[nH]nc(\C=C\c3ccccn3)c2c1

BDBM50132260

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

BDBM50565302

Fc1ccc(CNc2ccc3[nH]nc(\C=C\c4ccccn4)c3c2)cc1

BDBM50598110

Fc1ccc(CNc2nc(Nc3cc([nH]n3)C3CC3)c3ccccc3n2)c(F)c1

BDBM50193395

Fc1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)C4CC4)c3)cc2F)cc1

BDBM50502872

Fc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(Cl)ccc4n3)s2)cc1

BDBM50502945

Fc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4ccccc4n3)s2)cc1

BDBM50502886

Fc1ccc(NC(=O)Nc2nnc(SCc3nc4ccccc4[nH]c3=O)s2)cc1Cl

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,)|

BDBM50565301

Fc1cccc(CNc2ccc3[nH]nc(\C=C\c4ccccn4)c3c2)c1

BDBM50092104

Fc1cccc(CNc2ccc3ncc(-c4ccc(NC(=O)C5CCOCC5)cc4)n3n2)c1

BDBM50092090

Fc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C#N)n3n2)c1

BDBM50599664

Fc1cccc(CNc2nc(Nc3cccc(c3)C(=O)N[C@@H]3CCCNC3)ncc2Cl)c1 |r|

BDBM50599663

Fc1cccc(CNc2nc(Nc3cccc(c3)C(=O)N[C@H]3CCCNC3)ncc2Cl)c1 |r|

BDBM50092088

Fc1cccc(c1)C1CCCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1

BDBM50092083

Fc1cccc(c1)C1CCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1

BDBM50599665

Fc1cccc(c1)C1CCCN1c1nc(Nc2cccc(c2)C(=O)NC2CCCNC2)ncc1Cl

BDBM50092089

Fc1cccc(c1)C1COCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1

BDBM50092084

Fc1cccc(c1)[C@@H]1CCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 |r|

BDBM50092085

Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 |r|

BDBM50554330

Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3cccc(n3)N3CCN(CC3)C(=O)CCCCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)n2n1 |r|

BDBM50554331

Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3cccc(n3)N3CCN(CC3)C(=O)CCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)n2n1 |r|

BDBM50092079

Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1 |r|

BDBM50565300

Fc1ccccc1CNc1ccc2[nH]nc(\C=C\c3ccccn3)c2c1

BDBM50355501

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

BDBM50092080

N#Cc1ccc(cc1)-c1cnc2ccc(NCc3ccccc3)nn12

BDBM50092130

N#Cc1cccc(c1)-c1cnc2ccc(NCc3ccccc3)nn12

BDBM50128294

N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1

BDBM50512420

NC(=O)c1c(N)nn2cc(cnc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|

BDBM472725

NC(=O)c1c(N)nn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|

BDBM472759

NC(=O)c1c(N)nn2ccc(nc12)N1C[C@@H](F)C[C@@H]1c1cc(F)ccc1F |r|

BDBM50525717

NC(=O)c1c(NC(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)sc2CCCc12

BDBM50525723

NC(=O)c1c(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)sc2CCCc12

BDBM50503231

NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)-c2cccc(N)n2)n(n1)-c1ccccc1

BDBM50110208

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

BDBM50557928

NC(=O)c1ccc(cc1)-c1nnn(CC(=O)Nc2cc(ccc2-n2cncn2)C(F)(F)F)n1

BDBM50305006

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

BDBM50092086

NS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(NCc3cccc(F)c3)nn12

BDBM50510995

Nc1c(cc(Nc2ccc(cc2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)N1CCN(CC1)C1CCCCC1

BDBM25084

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

BDBM6866

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

BDBM50558812

Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12

BDBM50097956

Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1

BDBM50575343

Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CO)C1 |r,wU:17.19,19.22,(11.65,-9.07,;11.66,-10.61,;12.99,-11.37,;13,-12.92,;11.66,-13.69,;10.32,-12.92,;8.86,-13.4,;7.95,-12.16,;8.85,-10.91,;8.37,-9.46,;6.87,-9.15,;6.38,-7.69,;7.41,-6.53,;8.92,-6.85,;9.95,-5.7,;9.4,-8.31,;10.32,-11.38,;8.4,-14.88,;7.03,-15.58,;7.73,-16.95,;7.26,-18.42,;8.3,-19.56,;9.1,-16.25,)|

BDBM50512438

Nc1nn2cc(cnc2c1C(=O)Nc1ccc(F)cc1)N1CCC[C@@H]1c1cc(F)ccc1F |r|

BDBM472735

Nc1nn2ccc(nc2c1C(=O)N[C@H]1CC[C@H](O)CC1)N1CCC[C@@H]1c1cc(F)ccc1F |r,wU:13.14,wD:24.28,16.18,(3.91,3.31,;2.44,2.83,;1.2,3.74,;-.05,2.83,;-1.56,3.15,;-2.59,2.01,;-2.11,.54,;-.6,.22,;.43,1.37,;1.97,1.37,;2.87,.12,;2.24,-1.29,;4.4,.28,;5.31,-.96,;6.84,-.8,;7.74,-2.05,;7.12,-3.46,;8.02,-4.7,;5.59,-3.62,;4.68,-2.37,;-3.14,-.6,;-2.67,-2.07,;-3.91,-2.97,;-5.16,-2.07,;-4.68,-.6,;-5.59,.64,;-4.96,2.05,;-5.87,3.3,;-5.24,4.7,;-7.4,3.13,;-8.02,1.73,;-7.12,.48,;-7.74,-.92,)|

BDBM472737

Nc1nn2ccc(nc2c1C(=O)Nc1ccc(F)cc1)N1CCC[C@@H]1c1cc(F)ccc1F |r|

BDBM50525722

O=C(COC(=O)c1ccc(cc1)-n1cnnn1)Nc1ccc2ccccc2c1

BDBM50525702

O=C(COC(=O)c1ccc2ncsc2c1)Nc1ccc2ccccc2c1

BDBM50315888

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

BDBM50355496

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

BDBM50557930

O=C(Nc1ccc(cc1N1CCOCC1)N1CCOCC1)c1cnn(n1)-c1ccccc1

BDBM50502909

O=C(Nc1nnc(SCc2nc3ccccc3[nH]c2=O)s1)Nc1ccccc1

BDBM50240612

O=C1c2ccccc2-n2c1nc1ccccc1c2=O

BDBM50505014

O=c1[nH]c(=O)n(-c2ccc(Oc3ccccc3)c(OC3CCOC3)c2)c(=O)n1-c1ccccc1

BDBM50505019

O=c1[nH]c(=O)n(-c2ccc(Oc3ccccc3)c(OCC3COC3)c2)c(=O)n1-c1ccccc1

BDBM50505009

O=c1[nH]c(=O)n(-c2ccc(Oc3ccccc3)cc2)c(=O)n1-c1ccccc1

BDBM50499634

OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1

BDBM50092082

OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|

BDBM50197616

OC(=O)c1ccc(Nc2cc(N3CCN(CC3)C3CCCCC3)c3noc4-c5ccccc5C(=O)c2c34)cc1

BDBM31093

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

BDBM50384732

OC1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1

BDBM50554329

OC1CCN(CC1)c1cc(ccn1)-c1cccc(n1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|

BDBM50092081

OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|

BDBM50092132

OC1CCN(CC1)c1cccc(n1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|

BDBM50384731

OCCN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1

BDBM25628

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

BDBM50092102

OCc1ccc(cc1)-c1cnc2ccc(NCc3cccc(F)c3)nn12

BDBM50525714

OCc1ccc(cc1)C(=O)OCC(=O)Nc1cccc(c1)C(F)(F)F

BDBM50577766

O[C@@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@H]1c1cc(F)ccc1F |r|

BDBM136597

O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|

BDBM50506718

O\N=C1/c2ccccc2-n2c1nc1ccccc1c2=O

BDBM13531

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

BDBM50093539

Oc1ccc2c(oc(cc2=O)-c2ccccc2)c1O

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

BDBM50585081

Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1

BDBM435721

Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(F)cc2)n1

BDBM31094

[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|

BDBM50584732

[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(C2)(C3)NC(=O)Nc1ccc(Nc2ncnc3NC(=O)C(C)(C)Oc23)cc1 |r,TLB:8:1:12:6.5.9,8:6:12:2.1.11,THB:2:3:9:1.8.11,2:1:12.3.5:9|

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,)|