SMILES for Platelet-derived growth factor receptor alpha/beta

360 SMILES Strings for Platelet-derived growth factor receptor alpha/beta

Compound Name

SMILES String

BDBM50088899

COc1cccc(c1)-c1cn(-c2ccc(CNCCO)cc2)c2ncnc(N)c12

BDBM2579

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

BDBM50132310

CCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:11|

BDBM50132383

COc1cc2cc(OC3CCCCC3)cnc2cc1OC

BDBM50132395

COc1cc2ncc(NC3CCCC(C)C3)nc2cc1OC

BDBM50132385

COc1cc2cc(NC3CCCCC3)cnc2cc1OC

BDBM50132386

COc1cc2ncc(Nc3ccccc3)nc2cc1OC

BDBM50132409

COC(=O)C1CCC(CC1)Nc1cnc2cc(OC)c(OC)cc2n1 |(8.36,2.63,;7.03,3.39,;5.7,2.62,;5.71,1.09,;4.37,3.39,;4.36,4.92,;3.03,5.69,;1.71,4.92,;1.71,3.37,;3.03,2.62,;.38,5.68,;-.95,4.9,;-.95,3.35,;-2.28,2.57,;-3.62,3.34,;-4.95,2.57,;-6.27,3.34,;-7.62,2.57,;-7.62,1.04,;-6.27,4.89,;-7.62,5.67,;-8.95,4.89,;-4.95,5.67,;-3.62,4.89,;-2.3,5.67,)|

BDBM50132404

COc1cc2ncc(NC3CCC(CC3)C(N)=O)nc2cc1OC |(-7.56,-1.47,;-7.56,.07,;-6.22,.84,;-4.89,.07,;-3.55,.84,;-2.23,.07,;-.88,.85,;-.88,2.4,;.44,3.18,;1.78,2.41,;3.1,3.19,;4.43,2.42,;4.43,.88,;3.1,.11,;1.78,.88,;5.76,.12,;5.77,-1.42,;7.1,.88,;-2.23,3.16,;-3.55,2.39,;-4.89,3.16,;-6.22,2.37,;-7.56,3.16,;-8.88,2.39,)|

BDBM50039082

COc1cc2cc(cnc2cc1OC)-c1ccsc1

BDBM50132408

CNC(=O)C1CCC(CC1)Nc1cnc2cc(OC)c(OC)cc2n1 |(7.11,-2.19,;5.77,-1.42,;5.76,.12,;7.1,.88,;4.43,.88,;4.43,2.42,;3.1,3.19,;1.78,2.41,;1.78,.88,;3.1,.11,;.44,3.18,;-.88,2.4,;-.88,.85,;-2.23,.07,;-3.55,.84,;-4.89,.07,;-6.22,.84,;-7.56,.07,;-7.56,-1.47,;-6.22,2.37,;-7.56,3.16,;-8.88,2.39,;-4.89,3.16,;-3.55,2.39,;-2.23,3.16,)|

BDBM50132391

COc1cc2ncc(N[C@H]3CC[C@H](O)CC3)nc2cc1OC |wU:12.12,wD:9.8,(-.13,-6.56,;-.13,-5.02,;1.2,-4.25,;2.53,-5.02,;3.88,-4.23,;5.21,-5,;6.54,-4.23,;6.54,-2.69,;7.85,-1.9,;9.2,-2.67,;9.2,-4.21,;10.53,-4.98,;11.86,-4.21,;13.19,-4.98,;11.86,-2.67,;10.53,-1.9,;5.19,-1.92,;3.88,-2.69,;2.53,-1.92,;1.2,-2.71,;-.13,-1.94,;-.13,-.4,)|

BDBM50132406

COc1cc2ncc(N[C@@H]3CC[C@H](O)[C@@H](C)C3)nc2cc1OC

BDBM50132407

COc1cc2ncc(N[C@@H]3CC[C@H](O)CC3)nc2cc1OC |wD:9.8,12.12,(3.37,-6.65,;3.37,-5.12,;4.71,-4.35,;6.03,-5.12,;7.37,-4.35,;8.7,-5.12,;10.05,-4.33,;10.03,-2.79,;11.36,-2.01,;12.7,-2.78,;14.01,-2,;15.35,-2.77,;15.35,-4.31,;16.68,-5.07,;14.03,-5.08,;12.7,-4.31,;8.7,-2.03,;7.37,-2.8,;6.03,-2.03,;4.71,-2.81,;3.37,-2.03,;2.05,-2.8,)|

BDBM50132405

COc1cc2ncc(N[C@@H]3CC4CC3C[C@H]4O)nc2cc1OC |TLB:16:15:12:9.10,8:9:12:14.15|

BDBM50039036

COc1cc2cc(cnc2cc1OC)-c1ccc(cc1)N(C)C

BDBM50039034

COc1cc2cc(N)cnc2cc1OC

BDBM50039043

COc1cc2cc(cnc2cc1OC)-c1cc(F)c(OC)c(F)c1

BDBM50039044

COc1cc2cc(cnc2cc1OC)-c1ccc(F)cc1

BDBM50039046

COc1cc2cccnc2cc1OC

BDBM50039041

COc1cc2cc(\C=C\c3ccccc3)cnc2cc1OC

BDBM50039047

Fc1cccc2ncc(cc12)-c1ccsc1

BDBM50039049

COc1cc2cc(CCC3CCCCC3)cnc2cc1OC

BDBM50039040

COc1cc2cc(cnc2cc1OC)C#CC1CCCCC1

BDBM50039054

COc1cc2cc(cnc2cc1OC)-c1ccccc1

BDBM50039055

CCOC(=O)c1ccc(cc1)-c1cnc2cc(OC)c(OC)cc2c1

BDBM50039056

COc1cc2cc(NCc3ccccc3)cnc2cc1OC

BDBM50039052

COc1ccc(\C=C\c2cnc3cc(OC)c(OC)cc3c2)cc1

BDBM50039037

COc1cc2cc(cnc2cc1OC)-c1ccc(O)cc1

BDBM50039067

COc1cc2cc(cnc2cc1OC)-c1ccc(=O)[nH]c1

BDBM50039066

C1Oc2cc3cc(cnc3cc2O1)-c1ccsc1

BDBM50039070

COc1ccc(cc1[N+]([O-])=O)-c1cnc2cc(OC)c(OC)cc2c1

BDBM50039073

Cc1cc(C)c2cc(cnc2c1)-c1ccsc1

BDBM50039074

COc1cc2cc(cnc2cc1OC)-c1ccc(Cl)c(Cl)c1

BDBM50039075

COc1ccc2ncc(cc2c1)-c1ccsc1

BDBM50039048

COc1cc2cc(cnc2cc1OC)[N+]([O-])=O

BDBM50039072

COc1cc2cc(cnc2cc1OC)-c1ccc(Cl)s1

BDBM50039080

COc1cc2cc(cnc2cc1OC)-c1ccc(C)cc1

BDBM50039077

COc1cc2cc(cnc2cc1OC)-c1ccc(cc1)C(O)=O

BDBM50039079

COc1cc2cc(cnc2cc1OC)-c1cccs1

BDBM50039078

COc1cc2cc(cnc2cc1OC)-c1sccc1Cl

BDBM50039060

COc1cc2cc(cnc2cc1OC)-c1ccc(OCc2ccccc2)cc1

BDBM50039084

COc1cc2cc(cnc2cc1OC)-c1cccc(F)c1

BDBM50039069

Fc1ccc2cc(cnc2c1)-c1ccsc1

BDBM50039085

Fc1cc2cc(cnc2cc1F)-c1ccsc1

BDBM50039061

COc1ccc(s1)-c1cnc2cc(OC)c(OC)cc2c1

BDBM50039083

COc1ccc2cc(cnc2c1OC)-c1cccnc1

BDBM50039064

COc1ccc(c(OC)c1)-c1cnc2cc(OC)c(OC)cc2c1

BDBM50039081

c1cc(cs1)-c1cnc2ccccc2c1

BDBM50039033

Oc1cc2cc(cnc2cc1O)-c1cccnc1

BDBM50039038

COc1cc2cc(cnc2cc1OC)-c1c[nH]c2ccccc12

BDBM50039076

COc1cc2cc(cnc2cc1OC)C1CCCC1

BDBM50039035

Cc1ccc(C)c2ncc(cc12)-c1ccsc1

BDBM50039087

COc1ccc(cc1F)-c1cnc2cc(OC)c(OC)cc2c1

BDBM50039051

COc1ccc(CCc2cnc3cc(OC)c(OC)cc3c2)cc1

BDBM50039093

COc1ccc(cc1C)-c1cnc2cc(OC)c(OC)cc2c1

BDBM50039091

COc1ccc(\C=C(/C#N)c2cccnc2)cc1OC

BDBM50039086

COc1cc2cc(cnc2cc1OC)-c1ccc(F)c(F)c1

BDBM50039039

Clc1cc2cc(cnc2cc1Cl)-c1ccsc1

BDBM50039058

COc1cc2cc(cnc2cc1OC)-c1ccc(cc1)[N+]([O-])=O

BDBM50039094

COc1cc2cc(cnc2cc1OC)C#Cc1ccccc1

BDBM50039088

COc1cccc(c1)-c1cnc2cc(OC)c(OC)cc2c1

BDBM50039071

COc1ccc(cc1)-c1cnc2cc(OC)c(OC)cc2c1

BDBM50039065

COc1cc2cc(OCc3ccccc3)cnc2cc1OC

BDBM50039059

COc1cc2cc(cnc2cc1OC)-c1cc(OC)c(OC)c(OC)c1

BDBM50039092

COc1cc2cc(cnc2cc1OC)-c1ccc(cc1)-c1ccccc1

BDBM50039050

COc1cc2cc(cnc2cc1OC)-c1cccnc1

BDBM50039089

COc1ccc(cc1OC)-c1cnc2cc(OC)c(OC)cc2c1

BDBM50039053

C(=C/c1cnc2ccccc2c1)\c1ccccc1

BDBM50039090

COc1cc2cc(cnc2cc1OC)C1=CCCC1 |t:16|

BDBM50039095

COc1cc2cc(cnc2cc1OC)-c1ccccc1OC

BDBM50039042

COc1cc(OC)c2cc(cnc2c1)-c1ccsc1

BDBM50039068

COc1ccc2cc(cnc2c1OC)-c1c[nH]c2ccccc12

BDBM50039057

COc1ccc2cc(cnc2c1)-c1ccsc1

BDBM50039096

c1[nH]c2ccccc2c1-c1cnc2ccccc2c1

BDBM50039062

COc1ccc(cn1)-c1cnc2cc(OC)c(OC)cc2c1

BDBM50039650

COc1cc2cc(cnc2cc1OC)-c1ccncc1

BDBM50039651

Oc1cc2cc(cnc2cc1O)-c1ccncc1

BDBM50039652

Oc1cc(O)c2cc(cnc2c1)-c1ccncc1

BDBM50039653

COc1ccc2ncc(-c3ccncc3)c(C)c2c1

BDBM50039654

Clc1ccc2cc(cnc2c1)-c1ccncc1

BDBM50039656

Oc1ccc2cc(cnc2c1)-c1ccncc1

BDBM50039657

COc1ccc2c(C)c(cnc2c1)-c1ccncc1

BDBM50039658

c1ccc2ncc(cc2c1)-c1ccncc1

BDBM50039655

COc1cc(OC)c2cc(cnc2c1)-c1ccncc1

BDBM50039649

COc1cc2ncc(cc2c(OC)c1OC)-c1ccncc1

BDBM50039659

COc1ccc2ncc(cc2c1)-c1ccncc1

BDBM50039660

COc1ccc2cc(cnc2c1)-c1ccncc1

BDBM50040919

O=C1NC(=O)c2cc(Nc3ccc(cc3)-c3ccccc3)c(Nc3ccc(cc3)-c3ccccc3)cc12

BDBM50040917

CN(c1ccccc1)c1cc2C(=O)NC(=O)c2cc1Nc1ccccc1

BDBM50040914

COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccccc2)cc1

BDBM50040930

Fc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(F)cc2)cc1

BDBM50040923

CN1C(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc2C1=O

BDBM50040920

Cc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(C)cc2)cc1

BDBM50040929

O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12

BDBM50040925

COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(OC)cc2)cc1

BDBM50040922

O=C1N(C(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12)c1ccccc1

BDBM50040927

CC(=O)N(c1ccccc1)c1cc2C(=O)NC(=O)c2cc1Nc1ccccc1

BDBM4850

CN(C)c1cc(cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C)N(C)C

BDBM3062

CCN(CC)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 |(-6.72,-6.82,;-8.2,-7.22,;-9.29,-6.13,;-10.38,-7.22,;-11.71,-6.45,;-8.52,-4.79,;-8.92,-3.31,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,)|

BDBM3095

CCN(CC)CCOc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-13.08,-10.99,;-11.59,-10.59,;-10.82,-9.26,;-9.48,-10.03,;-8.4,-8.94,;-11.59,-7.93,;-10.82,-6.59,;-10.82,-5.05,;-9.48,-4.28,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,)|

BDBM3052

Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 |(-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,)|

BDBM50064349

CCN(CC)CCOc1ccc(Nc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)cc1 |(2.14,-2.63,;2.14,-4.18,;.81,-4.94,;-.53,-4.18,;-.53,-2.63,;.81,-6.47,;2.14,-7.25,;2.15,-8.79,;3.48,-9.56,;3.48,-11.11,;4.81,-11.87,;6.14,-11.1,;7.47,-11.87,;8.8,-11.1,;8.8,-9.56,;10.13,-8.78,;11.47,-9.55,;12.8,-8.78,;14.14,-9.55,;14.14,-11.1,;15.47,-11.87,;15.47,-13.41,;14.13,-14.18,;16.8,-14.19,;16.79,-15.73,;18.13,-16.5,;15.45,-16.49,;17.89,-14.64,;12.8,-11.87,;11.46,-11.09,;10.13,-11.87,;15.47,-8.79,;15.47,-7.26,;14.14,-6.49,;16.8,-6.49,;18.15,-7.26,;18.13,-8.8,;16.8,-9.57,;16.8,-11.11,;6.14,-9.56,;4.81,-8.79,)|

BDBM4849

CCOc1cc(OCC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

BDBM3443

COc1cc(OC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

BDBM3071

Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.81,-2.74,;-6.81,-4.28,;-8.14,-5.05,;-9.48,-4.29,;-9.48,-2.75,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|

BDBM4831

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1cc(cc(c1)C(F)(F)F)C(F)(F)F

BDBM50064348

COc1cc(OC)cc(c1)-c1cc2cnc(N)nc2n(C)c1=O

BDBM3104

Cn1c2nc(Nc3ccc(CC(O)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-9.48,-2.74,;-9.48,-4.28,;-8.15,-5.05,;-8.15,-6.59,;-7.38,-7.93,;-5.84,-7.93,;-8.15,-9.26,;-6.82,-4.28,;-6.82,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|

BDBM3050

Cn1c2nc(N)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|

BDBM3474

CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC4CCCCC4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.8,-4.24,;2.74,-5.78,;4.04,-6.6,;5.4,-5.88,;5.46,-4.34,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)|

BDBM3096

CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C

BDBM3101

CN1CCN(CC1)c1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.03,-11.21,;-8.03,-9.67,;-9.39,-8.95,;-9.45,-7.41,;-8.15,-6.59,;-6.79,-7.31,;-6.73,-8.85,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)|

BDBM3063

Cn1c2nc(NCCCN3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-8.92,-3.31,;-8.52,-4.79,;-9.18,-6.13,;-8.09,-7.22,;-8.49,-8.7,;-9.97,-9.1,;-11.06,-8.01,;-10.66,-6.53,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|

BDBM3487

COc1ccc(NC(=O)Nc2nc3nc(NCCCN4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)cc1 |(30.19,-24.55,;28.88,-23.74,;28.93,-22.2,;27.62,-21.39,;27.67,-19.85,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;30.34,-19.93,;30.29,-21.47,)|

BDBM3473

CN1CCN(CCCNc2ncc3cc(c(NC(=O)NCc4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;1.49,-3.52,;.16,-4.29,;.16,-5.83,;1.49,-6.6,;2.83,-5.83,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)|

BDBM3064

CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1 |(-10.37,-10.59,;-9.97,-9.1,;-8.49,-8.7,;-8.09,-7.22,;-9.18,-6.13,;-8.52,-4.79,;-8.92,-3.31,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-10.66,-6.53,;-11.06,-8.01,)|

BDBM3451

CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|

BDBM50064347

Cn1c2ncncc2cc(-c2c(Cl)cccc2Cl)c1=O |(4.31,-8.43,;4.32,-6.89,;2.98,-6.1,;1.65,-6.89,;.32,-6.12,;.32,-4.57,;1.65,-3.79,;2.99,-4.57,;4.32,-3.79,;5.66,-4.57,;6.99,-3.81,;6.99,-2.28,;5.66,-1.5,;8.32,-1.5,;9.67,-2.28,;9.65,-3.82,;8.32,-4.59,;8.32,-6.12,;5.66,-6.12,;6.99,-6.89,)|

BDBM3061

CN(C)c1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 |(-8.15,-1.97,;-8.15,-.43,;-9.48,.34,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,)|

BDBM50169892

OCCCNc1cc(ccn1)-c1ncnc(Nc2cccc(Cl)c2)n1

BDBM50074743

Oc1cc(O)c2c(O)c(cnc2c1)-c1cccc(Cl)c1

BDBM50074744

COc1cc(O)c2c(O)c(cnc2c1)-c1cccc(Cl)c1

BDBM50074739

COc1cc(O)c2c(c1)n(CCc1ccccc1)cc(-c1cccc(Cl)c1)c2=O

BDBM50074746

COc1cc(OC)c2c(c1)occ(-c1cccc(Cl)c1)c2=O

BDBM3532

COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Cl

BDBM50074745

Oc1cc(O)c2c(c1)occ(-c1cccc(Cl)c1)c2=O

BDBM50074740

COc1cc(O)c2c(c1)n(C)cc(-c1cccc(Cl)c1)c2=O

BDBM50074741

COc1cc(O)c2c(c1)occ(-c1cccc(Cl)c1)c2=O

BDBM50074742

COC(=O)Cn1cc(-c2cccc(Cl)c2)c(=O)c2c(O)cc(OC)cc12

BDBM50067643

CCCCN(CCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C

BDBM50162976

CC(C)(Nc1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1)c1ccccc1

BDBM50162972

CC(C)N(Cc1ccccc1)c1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1

BDBM50162973

CC(C)(Nc1nc(NO)nc(Nc2ccc3ncsc3c2)n1)c1ccccc1

BDBM50162978

CCN(Cc1ccccc1)c1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1

BDBM50162998

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccs3)c3ccccc23)c2ccccc12 |t:9|

BDBM50162990

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cnc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|

BDBM50162994

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccc4ccccc34)c3ccccc23)c2ccccc12 |t:9|

BDBM50162993

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccnc3)c3ccccc23)c2ccccc12 |t:9|

BDBM50162991

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3csc4ccccc34)c3ccccc23)c2ccccc12 |t:9|

BDBM50162996

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|

BDBM50188272

C(c1ccc2Cc3c(n[nH]c3-c3ccsc3)-c2c1)n1ccnc1

BDBM50188266

CN1CCN(Cc2ccc3Cc4c(n[nH]c4-c4ccsc4)-c3c2)CC1

BDBM50210271

COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21

BDBM50210272

CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1

BDBM50218709

COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1

BDBM50088908

COc1cccc(c1)-c1cn(-c2ccccc2)c2ncnc(N)c12

BDBM50088902

Nc1ncnc2n(cc(-c3ccccc3)c12)-c1cccc(CO)c1

BDBM50088903

COc1cccc(c1)-c1cn(-c2ccc(CCN(C)CCO)cc2)c2ncnc(N)c12

BDBM50175493

O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1

BDBM50175491

Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1

BDBM13530

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

BDBM50182212

COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O

BDBM50026673

CCN1CCN(CC(=O)Nc2cc(Oc3ccc4n(C)c(Nc5cc(ccc5F)C(F)(F)F)nc4c3)ccn2)CC1

BDBM50132392

COc1cc2ncc(NC3CC4CCC3C4)nc2cc1OC |THB:8:9:15:13.12|

BDBM50132400

COc1cc2ncc(SC3CCCC3)nc2cc1OC

BDBM50132393

N(c1ccccc1)c1cnc2ccccc2n1

BDBM50132396

Cc1cc2ncc(Nc3ccccc3)nc2cc1C

BDBM50132402

COc1cc2ncc(NC3CCCC3)nc2cc1OC

BDBM50132388

COc1cc2ncc(Nc3cccc(Cl)c3)nc2cc1OC

BDBM50132398

COc1ccc2nc(Nc3ccccc3)cnc2c1

BDBM50132387

COc1ccc2ncc(Nc3ccccc3)nc2c1

BDBM50404045

COc1cc2ncc(O[C@H]3CC4CCC3C4)nc2cc1OC |r,THB:8:9:15:13.12|

BDBM50132397

COc1cc2ncc(N[C@@H]3CC4CCC3C4)nc2cc1OC |THB:8:9:15:13.12|

BDBM50132394

COc1cc2ncc(OC3CCCC3)nc2cc1OC

BDBM50132384

COc1cc2ncc(OC3CCCCC3)nc2cc1OC

BDBM50132390

COc1cc2ncc(N[C@H]3CC4CCC3C4)nc2cc1OC |THB:8:9:15:13.12|

BDBM50404046

COc1cc2ncc(O[C@@H]3CC4CCC3C4)nc2cc1OC |r,THB:8:9:15:13.12|

BDBM50132399

COc1cc2ncc(NC3CCCCC3)nc2cc1OC

BDBM50132401

COc1cc2ncc(NCc3ccccc3)nc2cc1OC

BDBM50141809

COc1cc2c(Oc3ccc(Nc4ccc(cc4)C(C)(C)C)cc3)ccnc2cc1OCCNCCO

BDBM50171515

COCC(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1

BDBM50171520

CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1

BDBM50171514

Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12

BDBM50187342

COc1ccc2[nH]c(Cc3cc4ccccc4[nH]3)cc2c1

BDBM50187343

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(Br)cccc2[nH]1

BDBM50187344

COc1ccc2cc([nH]c2c1)C(=O)c1cc2cc(O)ccc2[nH]1

BDBM50187346

COc1ccc2[nH]c(Cc3cc4cc(F)ccc4[nH]3)cc2c1

BDBM50187341

COc1cccc2cc([nH]c12)C(=O)c1cc2cc(O)ccc2[nH]1

BDBM50187350

O=C(c1cc2ccccc2[nH]1)c1cc2cc(Oc3ccccc3)ccc2[nH]1

BDBM50187347

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(Cl)ccc2[nH]1

BDBM50187352

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(F)cccc2[nH]1

BDBM6573

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1

BDBM50187355

O=C(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1

BDBM50187354

COc1ccc2cc([nH]c2c1)C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1

BDBM6574

COc1ccc2cc([nH]c2c1)C(=O)c1cc2ccccc2[nH]1

BDBM50187356

Fc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1

BDBM50187360

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2cccc(Cl)c2[nH]1

BDBM50187364

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccc(F)cc2[nH]1

BDBM50187351

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2[nH]1

BDBM50187362

Cc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2[nH]1

BDBM50187363

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(Br)ccc2[nH]1

BDBM50187366

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccc(C)cc2[nH]1

BDBM50187338

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cccc(F)c2[nH]1

BDBM50187349

Fc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1

BDBM50187367

Cc1ccc2cc([nH]c2c1)C(=O)c1cc2cc(O)ccc2[nH]1

BDBM50187368

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(C)cccc2[nH]1

BDBM50187365

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(F)cccc2[nH]1

BDBM50187345

Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(O)ccc2[nH]1

BDBM50187369

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(F)ccc2[nH]1

BDBM50187340

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccc(Cl)cc2[nH]1

BDBM50187339

COc1cccc2[nH]c(cc12)C(=O)c1cc2ccccc2[nH]1

BDBM50187361

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(Cl)cccc2[nH]1

BDBM50187348

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(F)ccc2[nH]1

BDBM50187370

CCc1cccc2cc([nH]c12)C(=O)c1cc2cc(O)ccc2[nH]1

BDBM50187358

Fc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1

BDBM50187353

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccc(F)cc2[nH]1

BDBM50187375

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(C)ccc2[nH]1

BDBM33408

Cc1cc2ncc(nc2cc1C)-c1ccccc1

BDBM50187373

COc1cccc2[nH]c(cc12)C(=O)c1cc2cc(O)ccc2[nH]1

BDBM50187359

Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(F)ccc2[nH]1

BDBM6581

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1

BDBM50187374

COc1ccc2cc([nH]c2c1)C(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1

BDBM50187371

COc1ccc2cc([nH]c2c1)C(=O)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1

BDBM50187357

Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1

BDBM50187372

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(Cl)cccc2[nH]1

BDBM50192349

Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1

BDBM50287091

Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1

BDBM50287088

COc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1cccnc1

BDBM50287093

Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)[N+]([O-])=O

BDBM50287097

Cc1ccc(N)cc1Nc1nccc(n1)-c1cccnc1

BDBM50287092

Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)N(C(=O)c1ccccc1)C(=O)c1ccccc1

BDBM50240406

CC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1

BDBM50287087

Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1cccs1

BDBM4830

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1cc(F)cc(F)c1

BDBM3437

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Br)cccc1Br |(5.49,-4.29,;4.16,-3.52,;2.83,-4.29,;4.16,-5.06,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|

BDBM3428

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(4.56,-3.94,;3.23,-3.17,;1.89,-3.94,;3.23,-4.71,;3.23,-1.63,;1.89,-.86,;.56,-1.63,;1.89,.68,;.56,1.45,;-.77,.68,;-2.11,1.45,;-3.44,.68,;-4.78,1.45,;-6.11,.68,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)|

BDBM4844

COc1cccc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

BDBM4843

COc1ccccc1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

BDBM4823

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1ccccc1

BDBM3433

Cc1cccc(C)c1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(3.23,1.45,;3.23,2.99,;4.56,3.76,;4.56,5.3,;3.23,6.07,;1.89,5.3,;.56,6.07,;1.89,3.76,;.56,2.99,;-.77,3.76,;-2.11,2.99,;-3.44,3.76,;-4.78,2.99,;-4.78,1.45,;-6.11,.68,;-3.44,.68,;-2.11,1.45,;-.77,.68,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,)|

BDBM4836

Cc1cc(C)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

BDBM4842

CCc1cc(CC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

BDBM4837

Cc1cc(C)c(c(C)c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(6.24,5.02,;4.91,4.25,;3.58,5.02,;2.24,4.25,;.91,5.02,;2.24,2.71,;3.58,1.94,;3.51,.4,;4.82,2.53,;.91,1.94,;-.42,2.71,;-1.76,1.94,;-3.09,2.71,;-4.43,1.94,;-4.43,.4,;-5.76,-.37,;-3.09,-.37,;-1.76,.4,;-.42,-.37,;.91,.4,;2.4,-0,;2.8,-1.49,;1.71,-2.58,;4.28,-1.89,;5.37,-.8,;6.86,-1.2,;4.97,.69,;6.46,.29,)|

BDBM4841

CCc1ccccc1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

BDBM4829

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(F)cccc1F |(6.86,-1.2,;5.37,-.8,;4.97,.69,;6.46,.29,;4.28,-1.89,;2.8,-1.49,;1.71,-2.58,;2.4,-0,;.91,.4,;-.42,-.37,;-1.76,.4,;-3.09,-.37,;-4.43,.4,;-5.76,-.37,;-4.43,1.94,;-3.09,2.71,;-1.76,1.94,;-.42,2.71,;.91,1.94,;2.24,2.71,;2.24,4.25,;.91,5.02,;3.58,5.02,;4.91,4.25,;4.91,2.71,;3.58,1.94,;3.58,.4,)|

BDBM4848

CCOc1cccc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

BDBM4845

COc1ccc(cc1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

BDBM4835

Cc1cccc(c1C)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

BDBM3441

Cc1cc(C)c(C)c(c1C)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(4.16,7.26,;4.16,5.72,;5.49,4.95,;5.49,3.41,;6.83,2.64,;4.16,2.64,;4.16,1.1,;2.83,3.41,;2.83,4.95,;1.49,5.72,;1.49,2.64,;.16,3.41,;-1.17,2.64,;-2.51,3.41,;-3.84,2.64,;-3.84,1.1,;-5.18,.33,;-2.51,.33,;-1.17,1.1,;.16,.33,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.67,-3.92,;5.49,-4.29,;4.16,-5.06,)|

BDBM4839

Cc1c(C)c(C)c(c(C)c1C)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(6.26,4.98,;4.91,4.25,;3.58,5.02,;3.58,6.56,;2.24,4.25,;.91,5.02,;2.24,2.71,;3.58,1.94,;3.51,.4,;4.82,2.53,;6.1,1.67,;.91,1.94,;-.42,2.71,;-1.76,1.94,;-3.09,2.71,;-4.43,1.94,;-4.43,.4,;-5.76,-.37,;-3.09,-.37,;-1.76,.4,;-.42,-.37,;.91,.4,;2.4,-0,;2.8,-1.49,;1.71,-2.58,;4.28,-1.89,;5.37,-.8,;6.86,-1.2,;4.97,.69,;6.46,.29,)|

BDBM4840

CCN(CC)CCOc1ccc(C)c(c1C)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(7.58,11.95,;6.24,11.18,;6.24,9.64,;7.58,8.87,;8.91,9.64,;4.91,8.87,;4.91,7.33,;3.58,6.56,;3.58,5.02,;4.91,4.25,;4.82,2.53,;3.58,1.94,;3.51,.4,;2.24,2.71,;2.24,4.25,;.91,5.02,;.91,1.94,;-.42,2.71,;-1.76,1.94,;-3.09,2.71,;-4.43,1.94,;-4.43,.4,;-5.76,-.37,;-3.09,-.37,;-1.76,.4,;-.42,-.37,;.91,.4,;2.4,-0,;2.8,-1.49,;1.71,-2.58,;4.28,-1.89,;5.37,-.8,;6.86,-1.2,;4.97,.69,;6.46,.29,)|

BDBM4828

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Br |(6.86,-1.2,;5.37,-.8,;4.97,.69,;6.46,.29,;4.28,-1.89,;2.8,-1.49,;1.71,-2.58,;2.4,-0,;.91,.4,;-.42,-.37,;-1.76,.4,;-3.09,-.37,;-4.43,.4,;-5.76,-.37,;-4.43,1.94,;-3.09,2.71,;-1.76,1.94,;-.42,2.71,;.91,1.94,;2.24,2.71,;3.58,1.94,;3.58,.4,;4.91,2.71,;4.91,4.25,;3.58,5.02,;2.24,4.25,;.91,5.02,)|

BDBM4826

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)ccc(Cl)c1Cl |(6.86,-1.2,;5.37,-.8,;4.97,.69,;6.46,.29,;4.28,-1.89,;2.8,-1.49,;1.71,-2.58,;2.4,-0,;.91,.4,;-.42,-.37,;-1.76,.4,;-3.09,-.37,;-4.43,.4,;-5.76,-.37,;-4.43,1.94,;-3.09,2.71,;-1.76,1.94,;-.42,2.71,;.91,1.94,;2.24,2.71,;3.58,1.94,;3.58,.4,;4.91,2.71,;4.91,4.25,;3.58,5.02,;3.58,6.56,;2.24,4.25,;.91,5.02,)|

BDBM50290411

O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccc(cc1)C#N

BDBM50290430

Cc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1

BDBM50045526

C(Cn1ccnc1)Oc1cccc(Nc2nccc(n2)-c2cccnc2)c1

BDBM50290425

FC(F)C(F)(F)Oc1cccc(Nc2nccc(n2)-c2ccc(Cl)cc2)c1

BDBM50290419

O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)C1CCCCC1

BDBM50290422

CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(Nc3nccc(n3)-c3cccnc3)c2)CC1

BDBM50290412

Fc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1

BDBM50290417

O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1cccnc1

BDBM50290415

NCCCNC(=O)c1cccc(Nc2nccc(n2)-c2cccnc2)c1

BDBM50290413

FC(F)C(F)(F)Oc1cccc(Nc2nccc(n2)-c2c[nH]c3ccccc23)c1

BDBM50290410

OC(=O)c1cccc(Nc2nccc(n2)-c2cccnc2)c1

BDBM50290429

COc1ccccc1C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1

BDBM50290421

O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccncc1

BDBM50045485

Clc1cccc(Nc2nccc(n2)-c2cccnc2)c1

BDBM50290416

NCCCn1ccc2c(cccc12)-c1ccnc(Nc2cccc(OC(F)(F)C(F)F)c2)n1

BDBM50045424

N(c1ccccc1)c1nccc(n1)-c1cccnc1

BDBM50290428

O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccn1

BDBM50287090

Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Nc1nccc(n1)-c1cccnc1

BDBM50240407

Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1cccnc1

BDBM50290834

COc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1OC

BDBM50273281

COc1cc2ncnc(N(C)c3ccccc3)c2cc1OC

BDBM6497

COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC

BDBM50287098

Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1ccc[n+]([O-])c1

BDBM50287095

CNc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1

BDBM50287089

CN(C(=O)c1ccccc1)c1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1

BDBM50287094

Clc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1cccnc1

BDBM50287096

COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1

BDBM4832

Cc1ccccc1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

BDBM4833

Cc1ccc(cc1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

BDBM4825

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1cccc(Cl)c1Cl

BDBM4846

COc1ccc(cc1OC)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

BDBM50045528

Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1

BDBM50045408

Nc1cccc(Nc2nccc(n2)-c2ccncc2)c1

BDBM50290418

COC(=O)c1cccc(Nc2nccc(n2)-c2cccnc2)c1

BDBM50045481

N(c1cccc(c1)-n1ccnc1)c1nccc(n1)-c1cccnc1

BDBM50290424

[O-][N+](=O)c1cccc(Nc2nccc(n2)-c2ccccn2)c1

BDBM50290426

[O-][N+](=O)c1cccc(Nc2nccc(n2)-c2ccncc2)c1

BDBM50290420

FC(F)C(F)(F)Oc1cccc(Nc2nccc(n2)-c2ccncc2)c1

BDBM50290427

O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1cccs1

BDBM50290423

[O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cccnc2)c1

BDBM50290414

OC(=O)c1ccccc1C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1

BDBM50290431

CCCCCC(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1

BDBM50114585

CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |wU:7.7,10.14,(2.19,-10.22,;1.73,-8.75,;2.75,-7.59,;2.29,-6.14,;.77,-5.83,;-.26,-6.95,;.21,-8.41,;.3,-4.36,;-1.21,-4.04,;-1.67,-2.57,;-.63,-1.42,;.86,-1.75,;1.33,-3.22,;-1.1,.05,;-.19,1.28,;-1.1,2.52,;-.61,4.01,;-1.63,5.13,;-1.16,6.58,;.35,6.92,;.84,8.36,;2.34,8.68,;2.81,10.15,;4.32,10.44,;5.35,9.29,;4.88,7.84,;3.36,7.52,;1.38,5.76,;.89,4.29,;-2.56,2.05,;-3.89,2.82,;-3.89,4.36,;-5.22,2.05,;-5.23,.54,;-3.9,-.26,;-2.57,.51,)|

BDBM26198

CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O

BDBM50118825

COc1cc2ncnc(N3CCN(CC3)C(=NCc3ccc(Cl)cc3)C(C#N)C#N)c2cc1OC |w:16.17|

BDBM50118828

CCCc1ccc(CNC(=O)N2CCN(CC2)c2ncnc3cc(OC)c(OC)cc23)cc1

BDBM50118827

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccncc3)c2cc1OC

BDBM50118829

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3cccs3)c2cc1OC

BDBM50118830

COc1cc2ncnc(N3CCN(CC3)C(=S)Nc3ccccn3)c2cc1OC

BDBM50118833

COc1cc2ncnc(N3CCN(CC3)C(NCc3ccc4OCOc4c3)=NC#N)c2cc1OC |w:27.30|

BDBM50118832

COc1cc2ncnc(N3CCN(CC3)C(=S)NCC3(CC3)c3ccc(Cl)cc3)c2cc1OC

BDBM50118835

COc1ccc(CNC(=S)N2CCN(CC2)c2ncnc3cc(OC)c(OC)cc23)cc1OC

BDBM50118834

COc1cc2ncnc(N3CCN(CC3)C(=S)Nc3cccnc3)c2cc1OC

BDBM50118836

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3cncc(Cl)c3)c2cc1OC

BDBM50115340

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC

BDBM50118837

COc1cc2ncnc(N3CCN(CC3)C(=S)Nc3cncc(Cl)c3)c2cc1OC

BDBM50115302

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C(C)C)c2cc1OC

BDBM50118831

COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccccc3)c2cc1OC

BDBM50118838

COc1cc2ncnc(N3CCN(CC3)C(=O)NCc3ccsc3)c2cc1OC

BDBM50118839

COc1cc2ncnc(N3CCN(CC3)C(=S)N(C)Cc3ccccc3)c2cc1OC

BDBM50118841

COc1cc2ncnc(N3CCN(CC3)C(NCc3ccc(cc3)C(C)C)=NC#N)c2cc1OC |w:27.29|

BDBM50118840

COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3cccc(Cl)c3)c2cc1OC

BDBM50115347

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C(C)(C)C)c2cc1OC

BDBM50118842

COc1cc2ncnc(N3CCN(CC3)C(=S)NCC3CCCO3)c2cc1OC

BDBM50115298

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Br)cc3)c2cc1OC

BDBM50118845

COc1cc2ncnc(N3CCCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2cc1OC

BDBM50118844

COc1cc2ncnc(N3CCN(CC3)C(NCc3ccccc3Cl)=NC#N)c2cc1OC |w:25.27|

BDBM50118843

COc1cc2ncnc(N3CCN(CC3)C(=O)NCc3ccc(Cl)cc3)c2cc1OC

BDBM50118847

COc1cc2ncnc(N3CCN(CC3)C(NCc3ccc(Cl)cc3)=NC#N)c2cc1OC |w:25.27|

BDBM50118826

COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccc4OCOc4c3)c2cc1OC

BDBM50118824

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccsc3)c2cc1OC

BDBM50118846

COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccco3)c2cc1OC

BDBM50118848

COc1cc2ncnc(N3CCN(CC3)C(=O)NCC(=O)c3ccc(Br)cc3)c2cc1OC

BDBM50118850

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccccn3)c2cc1OC

BDBM50118849

COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3cccnc3)c2cc1OC

BDBM50118851

COc1cc2ncnc(N3CCN(CC3)C(=O)Oc3ccc(cc3)[N+]([O-])=O)c2cc1OC

BDBM50118852

COc1cc2ncnc(N3CCN(CC3)C(=S)NCCc3ccc(Cl)cc3)c2cc1OC

BDBM50118856

COc1cc2ncnc(N3CCN(CC3)C(=O)NCc3ccc(Oc4ccccc4)cc3)c2cc1OC

BDBM50118857

COc1ccc(CNC(=S)N2CCN(CC2)c2ncnc3cc(OC)c(OC)cc23)cc1

BDBM50118853

COc1cc2ncnc(N3CCN(CC3)C(NCc3ccc(C)cc3)=NC#N)c2cc1OC |w:25.27|

BDBM50118858

COc1cc2ncnc(N3CCN(C(C)C3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2cc1OC

BDBM50118855

COc1ccc(CNC(=O)N2CCN(CC2)c2ncnc3cc(OC)c(OC)cc23)cc1

BDBM50118859

COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccc(Cl)cc3)c2cc1OC

BDBM50370160

COc1cc2ncnc(N3CCN(CC3)C(=S)N[C@@H](C)c3ccccc3)c2cc1OC |r|

BDBM50118862

COc1cc2ncnc(N3CCN(CC3)C(C[N+]([O-])=O)=NCc3ccc4OCOc4c3)c2cc1OC |w:20.21|

BDBM50118866

COc1cc2ncnc(N3CC(C)N(CC3C)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2cc1OC

BDBM50118869

COc1cc2ncnc(N3CCN(CC3)C(=O)NCc3ccc(cc3)C(C)(C)C)c2cc1OC

BDBM50118865

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3cccnc3)c2cc1OC

BDBM50115332

COc1cc2ncnc(N3CCN(CC3)C(=S)Nc3ccc(Cl)cc3)c2cc1OC

BDBM50118860

COc1cc2ncnc(N3CCN(CC3)C(=O)NCCc3ccc(Cl)cc3)c2cc1OC

BDBM50118868

COc1cc2ncnc(N3CCN(CC3)C(NCc3cccc(Cl)c3)=NC#N)c2cc1OC |w:25.27|

BDBM50118872

COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccccc3Cl)c2cc1OC

BDBM50118864

COc1cc2ncnc(N3CCN(CC3)C(=O)N(C)c3ccc(Br)cc3)c2cc1OC

BDBM50118870

COc1cc2ncnc(N3CCN(CC3)C(=S)NCCc3cccnc3)c2cc1OC

BDBM50118863

COc1cc2ncnc(N3CCN(CC3)C(=O)NCc3ccc(C)cc3)c2cc1OC

BDBM50118880

COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccc(C)cc3)c2cc1OC

BDBM50118867

COc1cc2ncnc(N3CCN(CC3)C(=O)NCc3ccc(Br)cc3)c2cc1OC

BDBM50118871

COc1cc2ncnc(N3CCN(CC3)C(=O)NCc3ccc(F)cc3)c2cc1OC

BDBM50118876

COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccc(Oc4ccccc4)cc3)c2cc1OC

BDBM50370161

COc1cc2ncnc(N3CCN(CC3)C(=S)N[C@H](C)c3ccccc3)c2cc1OC |r|

BDBM50115301

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2cc1OC

BDBM50118878

COc1cc2ncnc(N3CCN(CC3)C(=S)Nc3ccncc3)c2cc1OC

BDBM50118883

COc1cc2ncnc(N3CCN(CC3)C(=O)NS(=O)(=O)c3ccc(Cl)cc3)c2cc1OC

BDBM50118873

COc1cc2ncnc(N3CCN(CC3)C(=S)NCC3CCCCC3)c2cc1OC

BDBM50118874

COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccc(cc3)C(C)(C)C)c2cc1OC

BDBM50118875

COc1cc2ncnc(N3CC(C)N(C(C)C3)C(=S)NCc3ccccc3)c2cc1OC

BDBM50115295

COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)[N+]([O-])=O)c2cc1OC

BDBM50118881

COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccc(Br)cc3)c2cc1OC

BDBM50118879

COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccc(cc3)C(C)C)c2cc1OC

BDBM50118877

COc1cc2ncnc(N3CCN(CC3)C(=O)NCc3ccc4OCOc4c3)c2cc1OC

BDBM50118882

COc1cc2ncnc(N3CCN(CC3)C(=S)NC(=O)c3ccc(Cl)cc3)c2cc1OC

BDBM4779

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

BDBM50182697

CN1CCN(CCC#CC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cn2)CC1

BDBM50065308

CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C

BDBM50279588

COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N3[C@@H](CN4CCN(C)CC4)CCC3=O)c3ccccc3)C(=O)Nc2c1 |r|

BDBM185149

CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1