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65 SMILES Strings for ALK tyrosine kinase receptor/Nucleophosmin

Compound NameSMILES String
BDBM4078 Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
BDBM4552 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
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,)|
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM107057 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107097 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2[nH]nnc2n1
BDBM50097956 Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1
BDBM50181669 CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1
BDBM50181670 CN1CCN(CC1)c1ccc(NC(=O)c2cc(c[nH]c2=O)-c2ccc3OCOc3c2)cc1
BDBM50181672 CN1CCN(CCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1
BDBM50181675 CN1CCN(CCCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50353040 COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nn12
BDBM50353041 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@H](C)O)CC1 |r|
BDBM50353042 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@@H](C)O)CC1 |r|
BDBM50353043 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(CC1)N1CCOCC1
BDBM50353044 COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)N3CCN(CC3)N3CCN(C)CC3)nn12
BDBM50353045 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C)CC1
BDBM50353046 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r|
BDBM50353047 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@@H](C)O)CC1 |r|
BDBM50353048 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCC(CC1)N1CCOCC1
BDBM50361205 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC(N)=O)CC1
BDBM50393608 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC1)C(=O)C1CCN1
BDBM50393609 CNC(=O)CN1CCC(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4OC)n3n2)c(OC)c1
BDBM50393610 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCNCC1
BDBM50393611 COc1cc(ccc1Nc1ncc2ccc(-c3ccncc3OC)n2n1)C1CCN(CC(N)=O)CC1
BDBM50393612 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC1)C(=O)C(C)(C)N
BDBM50393613 COc1cc(ccc1Nc1ncc2c(C)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1
BDBM50393614 COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)C3CCN(C)CC3)nn12
BDBM50393615 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(C[C@@H](C)O)CC1 |r|
BDBM50393616 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CCO)CC1
BDBM50393617 COc1cc(ccc1Nc1ncc2c(Cl)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1
BDBM50393618 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@@H](C)O)CC1 |r|
BDBM50393619 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC(O)CF)CC1
BDBM50393620 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@H](O)CO)CC1 |r|
BDBM50393622 COc1ccc(-c2ccc3cnc(Nc4ccc(cc4OC)C4CCN(CC(N)=O)CC4)nn23)c(OC)c1
BDBM50393623 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3C#N)n2n1)C1CCN(CC(N)=O)CC1
BDBM50393624 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1
BDBM50393625 COc1cc(N2CCN(C[C@H](C)O)CC2)c(F)cc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 |r|
BDBM50448040 Brc1ccc2nc3cc(Nc4ccccc4)ncn3c2c1
BDBM50448044 COc1ccc(cc1)-c1cc2nc3ccc(Br)cc3n2cn1
BDBM50448048 COc1ccc(cc1)-c1ccc2nc3cncc(\C=C\c4ccccc4)n3c2c1
BDBM50448035 Clc1cncc2nc3ccc(Br)cc3n12
BDBM50448037 CN1CCN(CC1)c1ccc(cc1)-c1ccc2nc3cncc(-c4ccc(cc4)N4CCN(C)CC4)n3c2c1
BDBM50436850 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50158419 C[C@@H](Oc1cc(cnc1N)-c1ccn(n1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50538507 COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12
BDBM50538508 COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
BDBM50538509 COc1ccc(cc1OC)-c1cnn2c(N)c(-c3nccs3)c(OC3CCN(C)CC3)nc12
BDBM50558022 CC(C)Oc1cc(C2CCNCC2)c(C)cc1NC1=NC2NCCCC2C(Nc2ccccc2S(=O)(=O)C(C)C)=N1 |c:43,t:20|
BDBM50558023 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cccnc2n1
BDBM50558024 COc1ccc2nc(Nc3cc(C)c(cc3OC(C)C)C3CCN(C)CC3)nc(Nc3ccccc3S(=O)(=O)C(C)C)c2c1
BDBM50558025 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2ccccc2n1
BDBM50558026 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)nc2[nH]ccc12
BDBM50558027 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
BDBM50558028 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(N)n[nH]c2n1
BDBM50558029 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)n[nH]c2n1
BDBM50558030 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc(C)[nH]c2n1
BDBM50558031 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc(C)[nH]c2n1
BDBM50558032 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cn[nH]c2n1
BDBM50558033 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
BDBM50558034 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cn[nH]c2n1
BDBM50558035 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
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,)|
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,)|