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255 SMILES Strings for Serine/threonine-protein kinase D1

Compound NameSMILES String
BDBM3033 Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM4552 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
BDBM4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM5445 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM5447 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
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,)|
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM13336 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM13531 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13533 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM13535 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
BDBM15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
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,)|
BDBM16173 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
BDBM24654 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
BDBM24773 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
BDBM25084 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
BDBM25117 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
BDBM25118 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
BDBM25013 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
BDBM25028 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
BDBM25045 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
BDBM27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM26300 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM25919 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
BDBM31340 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM31090 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM31099 CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
BDBM32333 Cc1cc(NCCCN)nc(n1)-c1ccccc1O
BDBM32334 Oc1ccc2oc3c(CCCNC3=O)c2c1
BDBM32335 CCC(=O)Nc1c2CSCc2nn1-c1ccccc1C
BDBM32336 CC(=O)Oc1cc(OC(C)=O)c2c(C)cc(=O)oc2c1
BDBM32347 CSc1ccccc1C(=O)NCc1ccc(F)cc1
BDBM32348 CC1Cc2ccccc2N1c1ncnc(N)c1[N+]([O-])=O
BDBM32360 CC(N=Nc1ncc(Cl)cc1Cl)c1ccccn1 |w:3.3|
BDBM32356 Cc1c(C#N)c(N)nc(Cl)c1C#N
BDBM32357 COc1ccc(CNC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)cc1
BDBM32358 Cn1cccc1C(=O)NC(=O)COC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
BDBM32359 O=C(CSc1ccncc1)Nc1ccc2ccccc2c1
BDBM32361 CCCc1cc(=O)[nH]c(SCCCCN2C(=O)c3ccccc3C2=O)n1
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM32342 Nc1nc2ccc(c(N)c2s1)[N+]([O-])=O
BDBM32343 Clc1cncc(Cl)c1N=NCc1ccncc1 |w:8.8|
BDBM32344 [O-][N+](=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
BDBM32345 Brc1ccc(cc1)C(=O)NNC1=Nc2cccc3cccc1c23 |t:12|
BDBM32346 [H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)Nc1sc2CCCCCc2c1C(=O)OC |TLB:12:7:6:3.2,THB:9:8:6:3.2|
BDBM32337 [H][C@]12C[C@H](NC)[C@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |TLB:13:12:11:6.3.2,19:35:11:6.3.2,THB:7:6:11:12.33.35.34,32:33:11:6.3.2,26:34:11:6.3.2|
BDBM32338 NC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12
BDBM32339 CS(=O)(=O)N1CCN(CC1)c1ccccc1NC(=O)c1ccc(Br)o1
BDBM32340 CCc1n[nH]c2cccc3c(OC)ccc1c23
BDBM32341 Clc1cccc(c1)-c1ccc(o1)C(=O)Nc1ccc(CN2CCOCC2)cc1
BDBM32349 Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C(C(=O)NCC2CCCO2)c2ccncc2)no1
BDBM32350 O=C(Nc1ccccc1C(=O)N1CCCC1)C1COc2ccccc2O1
BDBM32351 O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)c1ccccc1
BDBM32352 CCOC(=O)c1sc(=NC(=O)CCS(=O)(=O)c2ccccc2)n(C)c1C |w:8.8|
BDBM32353 Clc1ccc(Cl)c(c1)N1CSCC1=O
BDBM32354 OC(=O)c1cc(c[nH]1)C(=O)C1CCCCC1
BDBM32355 COc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NC2CCCC2)cc1
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM81614 Oc1ccc2sc3c(SCCNC3=O)c2c1I
BDBM92601 Oc1ccc2oc(=O)c3NCCCc3c2c1
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM103302 O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
BDBM50119286 COc1ccc2sc3c(SCCNC3=O)c2c1
BDBM50128285 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
BDBM50132260 Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50192071 C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50214857 Cc1cccc(n1)-c1nc(CNc2cccc(c2)C#N)[nH]c1-c1ccc2nccnc2c1
BDBM50229961 CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
BDBM50229971 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCCOc2c1)-c1ccccn1
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
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|
BDBM50298225 CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50308060 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
BDBM50300690 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
BDBM50309910 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
BDBM50320964 Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2ncccc2c1
BDBM50324286 C1CCC(CC1)Nc1cc(ccn1)-c1cc2ccccc2c(n1)N1CCNCC1
BDBM50324287 C1CCC(CC1)Nc1cc(ccn1)-c1cc2cccnc2c(n1)N1CCNCC1
BDBM50324288 C1CCC(CC1)Nc1cc(ccn1)-c1cc2ccncc2c(n1)N1CCNCC1
BDBM50324289 C1CCC(CC1)Nc1cc(ccn1)-c1cc2ncccc2c(n1)N1CCNCC1
BDBM50324290 C1CCC(CC1)Nc1cc(ccn1)-c1nc(N2CCNCC2)c2ccccc2n1
BDBM50324316 NCCNc1nc(cc2cnccc12)-c1ccncc1
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50324291 C[C@H]1CN(C[C@@H](C)N1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1 |r|
BDBM50324292 CN1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
BDBM50324293 CC(C)CN1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
BDBM50324294 C(C1CC1)N1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
BDBM50324295 C1CC1N1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
BDBM50324296 NCC1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
BDBM50324297 C1CN(CCN1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1
BDBM50324298 CC(C)CN1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1
BDBM50324299 OCCNc1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
BDBM50324300 OC1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
BDBM50324301 O=C1CN(CCN1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
BDBM50324302 CC(=O)C1CN(CCN1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
BDBM50324303 NC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
BDBM50324304 CNC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
BDBM50324305 O=C(NC1CCNCC1)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
BDBM50324306 O=C(NCCN1CCCC1)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
BDBM50324307 OC1CCN(CC1)C(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
BDBM50324308 NCC(=O)N1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1
BDBM50324309 NC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1
BDBM50324310 CCNC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1
BDBM50324311 CC(C)NC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1
BDBM50324312 CC(C)CNC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1
BDBM50324313 OCCNC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1
BDBM50324314 O=C(NCCN1CCCC1)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1
BDBM50324315 C1CCC(CC1)Nc1cc(ccn1)-c1cc2cnccc2c(n1)N1CCNCC1
BDBM50324317 OCCCNc1nc(cc2cnccc12)-c1ccncc1
BDBM50324318 CNc1cc(ccn1)-c1cc2cnccc2c(NCCCO)n1
BDBM50324319 C1CN(CCN1)c1nc(cc2cnccc12)-c1ccncc1
BDBM50324320 Clc1cc(ccn1)-c1cc2cnccc2c(n1)N1CCNCC1
BDBM50324321 O=C1NCc2c1cc(nc2N1CCNCC1)-c1ccnc(NC2CCCCC2)c1
BDBM50324322 O=C1NCc2c1cc(nc2-c1ccnc(NC2CCCCC2)c1)N1CCNCC1
BDBM50324323 NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCNCC1
BDBM50324324 NC(=O)c1cc(nc(c1)-c1ccnc(Nc2ccccc2)c1)N1CCNCC1
BDBM50324325 NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCOCC2)c1)N1CCNCC1
BDBM50324326 CC(C)Nc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)C(N)=O
BDBM50324327 Cn1ccc(Nc2cc(ccn2)-c2cc(cc(n2)N2CCNCC2)C(N)=O)n1
BDBM50324328 NC(=O)c1cc(nc(c1)-c1ccnc(Nc2ccccc2Cl)c1)N1CCNCC1
BDBM50324329 NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCCC2)c1)N1CCNCC1
BDBM50324330 CCNc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)C(N)=O
BDBM50324331 N#Cc1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCNCC1
BDBM50324332 N#Cc1cc(nc(c1)-c1ccnc(Nc2ccccc2)c1)N1CCNCC1
BDBM50324333 Cn1ccc(Nc2cc(ccn2)-c2cc(cc(n2)N2CCNCC2)C#N)n1
BDBM50324334 C1CCC(CC1)Nc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)-c1cc[nH]n1
BDBM50324335 NC(=O)c1cc(N[C@@H]2CCNC2)nc(c1)-c1ccnc(NC2CCCCC2)c1 |r|
BDBM50324336 NC(=O)c1cc(N[C@H]2CCNC2)nc(c1)-c1ccnc(NC2CCCCC2)c1 |r|
BDBM50324337 C[C@@H]1CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O |r|
BDBM50324338 C[C@H]1CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O |r|
BDBM50324339 NC1CCCN(C1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
BDBM50324340 CN1CCN(CC1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
BDBM50324341 NCC1CCN(CC1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
BDBM50324342 CC1(C)CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
BDBM50324343 NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCOCC1
BDBM50324344 FC(F)(F)c1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCNCC1
BDBM50324345 FC(F)c1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCNCC1
BDBM50324346 C1CCC(CC1)Nc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)-c1cn[nH]c1
BDBM50324347 CC(C)Nc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)-c1cn[nH]c1
BDBM50324348 C1CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCOCC2)c1)-c1cn[nH]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|
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50336958 COc1ncc2sc3c(SCCNC3=O)c2n1
BDBM50336959 Oc1ccc2[nH]c3c(CCCNC3=O)c2c1
BDBM50337694 C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N |r|
BDBM50337695 CN1CCN(CC1)c1ccc(cc1Br)-c1cc(n[nH]1)-c1cccc(c1)C(=O)NCC#N
BDBM50337696 C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(cc1)N1CCN(C)CC1)C#N |r|
BDBM50337697 CC(C)NCc1ccc(cc1)-c1cc([nH]n1)-c1cccc(c1)C(=O)N[C@H](C)C#N |r|
BDBM50337698 CC(C)NCc1ccc(cc1)-c1cc(no1)-c1cccc(c1)C(=O)N[C@H](C)C#N |r|
BDBM50337699 CN1CCN(CC1)c1ccc(cc1)-c1cc(n[nH]1)-c1cccc(NC(C)=O)c1
BDBM50337700 CCCNC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(cc1)N1CCN(C)CC1
BDBM50337701 CC(C)NC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(cc1)N1CCN(C)CC1
BDBM50336960 Oc1ccc2sc3c(SCCNC3=O)c2c1
BDBM50336961 [N-]=[N+]=Nc1ccc2sc3c(SCCNC3=O)c2c1
BDBM50336962 Oc1ccc2sc3c(SCCCNC3=O)c2c1
BDBM50336963 COc1ccc2sc3c(SCCCNC3=O)c2c1
BDBM50337702 CC(C)NC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(N2CCN(C)CC2)c(Br)c1
BDBM50337703 CC(C)NC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(N2CCN(C)CC2)c(c1)-c1ccccc1
BDBM50337704 CC(C)NC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(N2CCN(C)CC2)c(c1)-c1ccncc1
BDBM50337705 CN1CCN(CC1)c1ccc(cc1)-c1cc(n[nH]1)-c1cccc(c1)C(=O)NCC#N
BDBM50337706 CN1CCN(CC1)c1ccc(cc1)-c1cc(n[nH]1)-c1cccc(c1)C(=O)NCCC#N
BDBM50337707 COCCNC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(cc1)N1CCN(C)CC1
BDBM50337708 CN1CCN(CC1)c1ccc(cc1)-c1cc(n[nH]1)-c1cccc(c1)C(=O)NCCO
BDBM50337709 CN(C)CCNC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(cc1)N1CCN(C)CC1
BDBM50337710 CN1CCN(CC1)c1ccc(cc1)-c1cc(n[nH]1)-c1cccc(c1)C(=O)NCC(F)(F)F
BDBM50337711 CN1CCN(CC1)c1ccc(cc1)-c1cc(no1)-c1cccc(c1)C(=O)NCC#N
BDBM50337712 C[C@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(cc1)N1CCN(C)CC1)C#N |r|
BDBM50337713 CC(C)NCc1ccc(cc1)-c1cc([nH]n1)-c1cccc(c1)C(=O)NC(C)C
BDBM50337714 COCCNCc1ccc(cc1)-c1cc([nH]n1)-c1cccc(c1)C(=O)NC(C)C
BDBM50337715 CC(C)NC(=O)c1cccc(c1)-c1cc(n[nH]1)-c1ccc(CNC2CC2)cc1
BDBM50337716 CC(C)NC(=O)c1cccc(c1)-c1cc(n[nH]1)-c1ccc(CNCC(F)(F)F)cc1
BDBM50337717 CC(C)NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1
BDBM50337718 O=C(NCC#N)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1
BDBM50337719 CC(C)(NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N
BDBM50337720 C[C@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N |r|
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50360301 C[C@@H]1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C |r|
BDBM50359359 CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50355494 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
BDBM50355495 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
BDBM50355496 O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
BDBM50355497 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
BDBM50355499 CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
BDBM50355500 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
BDBM50355501 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
BDBM50355504 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM50427363 CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl |r|
BDBM50417844 Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1
BDBM50417843 O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12 |r|
BDBM50429867 Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
BDBM158533 Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O |r|
BDBM158645 Cc1cc(no1)[C@@](C)(O)C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O |r|
BDBM158743 Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3C3CC(C3)c2cc1F |r,wU:6.8,wD:6.9,(-9.15,-.72,;-7.82,-1.49,;-6.57,-.59,;-5.32,-1.49,;-5.8,-2.96,;-7.34,-2.96,;-3.99,-.72,;-3.22,-2.06,;-5.32,.05,;-2.66,.05,;-1.32,.82,;.01,1.59,;1.34,.82,;2.68,1.59,;3.88,.63,;3.74,-.91,;5.16,-1.51,;5.56,-3,;4.47,-4.09,;7.05,-3.4,;6.17,-.35,;7.66,-.75,;8.75,-1.84,;9.15,-.35,;5.38,.97,;6.05,2.36,;5.38,3.75,;3.88,4.09,;4.56,2.76,;2.68,3.13,;1.34,3.9,;.01,3.13,;-1.32,3.9,)|
BDBM158654 Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O |r,wU:6.7,wD:6.8,(3.31,5.03,;4.08,3.69,;3.61,2.23,;4.85,1.32,;6.1,2.23,;5.62,3.69,;4.85,-.22,;6.19,.55,;6.19,-.99,;3.52,-.99,;2.18,-1.76,;.85,-2.53,;-.48,-1.76,;-1.82,-2.53,;-3.02,-1.57,;-2.88,-.03,;-4.3,.57,;-5.31,-.59,;-4.52,-1.91,;-5.19,-3.3,;-4.52,-4.68,;-3.02,-5.03,;-3.58,-3.53,;-1.82,-4.07,;-.48,-4.84,;.85,-4.07,;2.18,-4.84,;-4.7,2.06,;-6.19,2.46,;-3.61,3.15,)|
BDBM158562 NC(=O)c1cn2C3CC(C3)c3ccc(cc3-c2n1)C#CC1(O)CCCC1 |(4.13,-4.09,;5.22,-3,;6.7,-3.4,;4.82,-1.51,;5.83,-.35,;5.04,.97,;5.71,2.36,;5.04,3.75,;3.54,4.09,;4.15,2.65,;2.34,3.13,;1,3.9,;-.33,3.13,;-.33,1.59,;1,.82,;2.34,1.59,;3.54,.63,;3.4,-.91,;-1.67,.82,;-3,.05,;-4.33,-.72,;-4.33,.82,;-5.8,-.25,;-6.7,-1.49,;-5.8,-2.74,;-4.33,-2.26,)|
BDBM158675 Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |r,wU:6.8,wD:6.7,(8.1,.72,;6.76,-.05,;5.52,.86,;4.27,-.05,;4.75,-1.51,;6.29,-1.51,;2.94,.72,;4.27,1.49,;2.94,2.26,;1.6,-.05,;.27,-.82,;-1.06,-1.59,;-1.06,-3.13,;-2.4,-3.9,;-3.73,-3.13,;-4.93,-4.09,;-6.44,-3.75,;-7.1,-2.36,;-5.49,-2.59,;-6.44,-.97,;-7.22,.35,;-6.21,1.51,;-4.8,.91,;-4.93,-.63,;-3.73,-1.59,;-2.4,-.82,;-6.61,3,;-5.52,4.09,;-8.1,3.4,)|
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM159182 Cc1cnc(o1)[C@@](C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |r,wU:6.7,wD:6.8,(8.21,.73,;6.88,-.04,;6.4,-1.51,;4.86,-1.51,;4.38,-.04,;5.63,.86,;3.05,.73,;4.38,1.5,;2.65,2.21,;1.72,-.04,;.38,-.81,;-.95,-1.58,;-.95,-3.12,;-2.28,-3.89,;-3.62,-3.12,;-4.82,-4.08,;-6.32,-3.74,;-6.99,-2.35,;-5.21,-2.35,;-6.32,-.98,;-7.23,.26,;-6.32,1.51,;-4.86,1.03,;-4.86,-.51,;-3.62,-1.58,;-2.28,-.81,;-6.72,3,;-5.63,4.08,;-8.21,3.39,)|
BDBM159183 Cc1cnc(o1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |r,wU:6.8,wD:6.7,(8.21,.73,;6.88,-.04,;6.4,-1.51,;4.86,-1.51,;4.38,-.04,;5.63,.86,;3.05,.73,;4.38,1.5,;3.05,2.27,;1.72,-.04,;.38,-.81,;-.95,-1.58,;-.95,-3.12,;-2.28,-3.89,;-3.62,-3.12,;-4.82,-4.08,;-6.32,-3.74,;-6.99,-2.35,;-5.21,-2.35,;-6.32,-.98,;-7.23,.26,;-6.32,1.51,;-4.86,1.03,;-4.86,-.51,;-3.62,-1.58,;-2.28,-.81,;-6.72,3,;-5.63,4.08,;-8.21,3.39,)|
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
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
BDBM236557 Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
BDBM31096 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
BDBM50463479 CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
BDBM50463483 O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
BDBM50462709 O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
BDBM416549 CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
BDBM50502746 Cc1cc(no1)[C@@](C)(O)C#Cc1ccc2OCCn3c(C4CC4)c(nc3-c2c1)C(N)=O |r|
BDBM50502747 CCOc1nc2ccc(cc2n1-c1ccnc(N)n1)C#C[C@](C)(O)c1ncc(C)o1 |r|
BDBM50502741 Cc1cnc(o1)C(C)(C)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3C3CC3)-c2c1 |(46.46,-35.32,;44.92,-35.41,;44.1,-36.7,;42.62,-36.32,;42.52,-34.79,;43.95,-34.23,;41.23,-33.97,;40.44,-32.67,;42.05,-32.66,;40.1,-35.02,;38.97,-36.07,;37.85,-37.12,;38.19,-38.63,;37.06,-39.68,;35.59,-39.22,;34.62,-40.41,;33.08,-40.4,;32.13,-39.18,;33.76,-38.96,;32.49,-37.68,;33.88,-37.04,;33.7,-35.52,;32.2,-35.22,;31.55,-33.82,;32.44,-32.56,;30.02,-33.68,;31.45,-36.55,;29.92,-36.74,;28.51,-36.13,;28.69,-37.66,;35.25,-37.72,;36.38,-36.67,)|
BDBM50502744 CCOc1nc2ccc(cc2n1-c1ccnc(N)n1)C#C[C@@](C)(O)c1ncc(C)o1 |r|
BDBM50519662 CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
BDBM50502742 [H]C12CC([H])(C1)n1cc(nc1-c1cc(ccc21)C#C[C@](C)(O)c1cc(C)on1)C(N)=O |r,wD:19.23,(1.78,4.35,;3.05,3.48,;4.57,3.77,;4.85,2.25,;6.13,1.38,;3.34,1.97,;5.31,.78,;5.08,-.74,;4.21,-2.01,;2.87,-2.78,;1.34,-2.9,;-.1,-2.33,;-1.14,-1.2,;-1.6,.27,;-1.36,1.79,;-.5,3.06,;.84,3.83,;-3.13,.15,;-4.67,.04,;-6.2,-.07,;-7.74,-.19,;-6.32,1.46,;-6.09,-1.61,;-4.78,-2.42,;-5.15,-3.92,;-4.15,-5.09,;-6.68,-4.03,;-7.26,-2.6,;5.25,-3.14,;4.8,-4.61,;6.76,-2.8,)|
BDBM50502743 NC(=O)c1cn2C3CC(C3)c3ccc(cc3-c2n1)C#CC1CCCC1 |(31.97,-3.51,;31.08,-4.77,;29.55,-4.63,;31.73,-6.17,;30.98,-7.5,;32.02,-8.62,;31.66,-10.13,;32.61,-11.35,;34.15,-11.36,;33.3,-9.91,;35.12,-10.17,;36.59,-10.62,;37.72,-9.58,;37.38,-8.07,;35.91,-7.62,;34.79,-8.67,;33.41,-7.98,;33.23,-6.46,;38.5,-7.02,;39.63,-5.97,;40.76,-4.91,;42.27,-5.21,;43.02,-3.86,;41.96,-2.73,;40.56,-3.39,)|
BDBM50502745 CNC(=O)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#CC(C)(C)c1ncc(C)o1)C(N)=O |(28.83,-24.05,;30.36,-23.87,;30.97,-22.45,;30.05,-21.22,;32.5,-22.27,;33.25,-20.94,;34.75,-21.24,;34.93,-22.75,;36.3,-23.44,;37.43,-22.39,;38.89,-22.84,;39.24,-24.35,;38.11,-25.4,;36.64,-24.94,;35.67,-26.13,;34.13,-26.12,;33.18,-24.9,;34.81,-24.68,;33.54,-23.39,;40.02,-21.79,;41.15,-20.74,;42.28,-19.69,;41.49,-18.39,;43.1,-18.38,;43.57,-20.51,;43.67,-22.04,;45.15,-22.42,;45.97,-21.13,;47.51,-21.04,;45,-19.95,;32.6,-19.54,;33.49,-18.28,;31.07,-19.4,)|
BDBM50537742 C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
BDBM482158 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50565687 CC(C)(C)n1nc(-c2c[nH]c3ccccc23)c2c(N)ncnc12
BDBM50565688 Cn1cc(-c2nn(c3ncnc(N)c23)C(C)(C)C)c2ccccc12
BDBM50565689 CC(C)(C)n1nc(-c2c[nH]c3cccnc23)c2c(N)ncnc12
BDBM50565690 Nc1ncnc2n(CC3CCNCC3)nc(-c3c[nH]c4ccccc34)c12
BDBM50565691 Nc1ncnc2n(CC3CCNCC3)nc(-c3cccc4ccccc34)c12
BDBM50565692 CC(C)(CO)Cn1nc(-c2c[nH]c3ccccc23)c2c(N)ncnc12
BDBM50565693 CC[C@@H](N)CNc1ccnc(n1)-c1cc(ccc1O)-c1cnn(C)c1 |r|
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1