Compile Data Set for Download or QSAR
Found 27 of kd for UniProtKB: Q7ZJM1
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50021282(CHEMBL3287916)
Show SMILES Cc1cc(ccc1Cl)-c1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(c1C)-c1ccc2OCCCc2c1
Show InChI InChI=1S/C29H32ClNO4/c1-16-14-21(9-11-22(16)30)26-17(2)24(20-10-12-23-19(15-20)8-7-13-34-23)25(18(3)31-26)27(28(32)33)35-29(4,5)6/h9-12,14-15,27H,7-8,13H2,1-6H3,(H,32,33)/t27-/m0/s1
Affinity DataKd:  17nMAssay Description:Apparent binding affinity to Trx-His-tagged HIV integraseMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50021287(CHEMBL3287920)
Show SMILES Cc1nc(c(C)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O)-c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C33H34N2O4/c1-20-28(26-12-13-27-25(19-26)7-6-18-38-27)29(31(32(36)37)39-33(3,4)5)21(2)35-30(20)24-10-8-22(9-11-24)23-14-16-34-17-15-23/h8-17,19,31H,6-7,18H2,1-5H3,(H,36,37)/t31-/m0/s1
Affinity DataKd:  24nMAssay Description:Apparent binding affinity to Trx-His-tagged HIV integraseMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50021263(CHEMBL3287908)
Show SMILES Cc1nc2ccccc2c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C25H27NO4/c1-15-21(23(24(27)28)30-25(2,3)4)22(18-9-5-6-10-19(18)26-15)17-11-12-20-16(14-17)8-7-13-29-20/h5-6,9-12,14,23H,7-8,13H2,1-4H3,(H,27,28)/t23-/m0/s1
Affinity DataKd:  24nMAssay Description:Apparent binding affinity to His-tagged HIV integraseMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50021289(CHEMBL3287922)
Show SMILES Cc1ccc(cc1C)-c1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(c1C)-c1ccc2OCCCc2c1C
Show InChI InChI=1S/C31H37NO4/c1-17-11-12-22(16-18(17)2)28-20(4)26(24-13-14-25-23(19(24)3)10-9-15-35-25)27(21(5)32-28)29(30(33)34)36-31(6,7)8/h11-14,16,29H,9-10,15H2,1-8H3,(H,33,34)/t29-/m0/s1
Affinity DataKd:  26nMAssay Description:Apparent binding affinity to Trx-His-tagged HIV integraseMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50021278(CHEMBL3287915)
Show SMILES Cc1ccc(cc1C)-c1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(c1C)-c1ccc2OCCCc2c1
Show InChI InChI=1S/C30H35NO4/c1-17-10-11-23(15-18(17)2)27-19(3)25(22-12-13-24-21(16-22)9-8-14-34-24)26(20(4)31-27)28(29(32)33)35-30(5,6)7/h10-13,15-16,28H,8-9,14H2,1-7H3,(H,32,33)/t28-/m0/s1
Affinity DataKd:  27nMAssay Description:Apparent binding affinity to Trx-His-tagged HIV integraseMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50021291(CHEMBL3287923)
Show SMILES Cc1ccc(cc1C)-c1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(c1C)-c1ccc2OCCNc2c1Cl
Show InChI InChI=1S/C29H33ClN2O4/c1-15-8-9-19(14-16(15)2)25-17(3)22(20-10-11-21-26(24(20)30)31-12-13-35-21)23(18(4)32-25)27(28(33)34)36-29(5,6)7/h8-11,14,27,31H,12-13H2,1-7H3,(H,33,34)/t27-/m0/s1
Affinity DataKd:  28nMAssay Description:Apparent binding affinity to Trx-His-tagged HIV integraseMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50021277(CHEMBL3287913)
Show SMILES Cc1ccc(cc1)-c1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(c1C)-c1ccc2OCCCc2c1
Show InChI InChI=1S/C29H33NO4/c1-17-9-11-20(12-10-17)26-18(2)24(22-13-14-23-21(16-22)8-7-15-33-23)25(19(3)30-26)27(28(31)32)34-29(4,5)6/h9-14,16,27H,7-8,15H2,1-6H3,(H,31,32)/t27-/m0/s1
Affinity DataKd:  31nMAssay Description:Apparent binding affinity to Trx-His-tagged HIV integraseMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50021288(CHEMBL3287921)
Show SMILES Cc1noc(C)c1-c1ccc(c(F)c1)-c1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(c1C)-c1ccc2OCCCc2c1
Show InChI InChI=1S/C33H35FN2O5/c1-17-27(22-11-13-26-21(15-22)9-8-14-39-26)29(31(32(37)38)40-33(5,6)7)18(2)35-30(17)24-12-10-23(16-25(24)34)28-19(3)36-41-20(28)4/h10-13,15-16,31H,8-9,14H2,1-7H3,(H,37,38)/t31-/m0/s1
Affinity DataKd:  35nMAssay Description:Apparent binding affinity to Trx-His-tagged HIV integraseMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50011012(CHEMBL3259901)
Show SMILES Cc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(O)=O)c(C)nc2c1
Show InChI InChI=1S/C23H24ClNO3/c1-13-6-11-17-18(12-13)25-14(2)19(21(22(26)27)28-23(3,4)5)20(17)15-7-9-16(24)10-8-15/h6-12,21H,1-5H3,(H,26,27)/t21-/m0/s1
Affinity DataKd:  40nMAssay Description:Binding affinity to HIV1 integrase by displacement assayMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50021326(CHEMBL3287924)
Show SMILES Cc1ccc(cc1C)-c1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(c1C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H30ClNO3/c1-15-8-9-20(14-16(15)2)24-17(3)22(19-10-12-21(28)13-11-19)23(18(4)29-24)25(26(30)31)32-27(5,6)7/h8-14,25H,1-7H3,(H,30,31)/t25-/m0/s1
Affinity DataKd:  40nMAssay Description:Apparent binding affinity to Trx-His-tagged HIV integraseMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50021276(CHEMBL3287912)
Show SMILES Cc1nc(c(C)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C28H31NO4/c1-17-23(21-13-14-22-20(16-21)12-9-15-32-22)24(26(27(30)31)33-28(3,4)5)18(2)29-25(17)19-10-7-6-8-11-19/h6-8,10-11,13-14,16,26H,9,12,15H2,1-5H3,(H,30,31)/t26-/m0/s1
Affinity DataKd:  40nMAssay Description:Apparent binding affinity to Trx-His-tagged HIV integraseMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50011008(CHEMBL3259897)
Show SMILES Cc1ccc2nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C23H24ClNO3/c1-13-6-11-18-17(12-13)20(15-7-9-16(24)10-8-15)19(14(2)25-18)21(22(26)27)28-23(3,4)5/h6-12,21H,1-5H3,(H,26,27)/t21-/m0/s1
Affinity DataKd:  48nMAssay Description:Binding affinity to HIV1 integrase by displacement assayMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50011009(CHEMBL3259898)
Show SMILES Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C22H22ClNO3/c1-13-18(20(21(25)26)27-22(2,3)4)19(14-9-11-15(23)12-10-14)16-7-5-6-8-17(16)24-13/h5-12,20H,1-4H3,(H,25,26)/t20-/m0/s1
Affinity DataKd:  49nMAssay Description:Binding affinity to HIV1 integrase by displacement assayMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50021261(CHEMBL3287925)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c2ccc(Cl)cc2)c1C
Show InChI InChI=1S/C30H31ClN2O4/c1-16-24(20-12-14-23(31)15-13-20)26(28(29(34)35)36-30(5,6)7)17(2)32-27(16)22-10-8-21(9-11-22)25-18(3)33-37-19(25)4/h8-15,28H,1-7H3,(H,34,35)/t28-/m0/s1
Affinity DataKd:  50nMAssay Description:Apparent binding affinity to Trx-His-tagged HIV integraseMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50021285(CHEMBL3287918)
Show SMILES Cc1nc(c(C)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1ccnn1C
Show InChI InChI=1S/C32H35N3O4/c1-19-27(23-12-13-26-22(18-23)11-8-16-38-26)28(30(31(36)37)39-32(3,4)5)20(2)34-29(19)24-10-7-9-21(17-24)25-14-15-33-35(25)6/h7,9-10,12-15,17-18,30H,8,11,16H2,1-6H3,(H,36,37)/t30-/m0/s1
Affinity DataKd:  52nMAssay Description:Apparent binding affinity to Trx-His-tagged HIV integraseMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50021284(CHEMBL3287917)
Show SMILES Cc1nc(c(C)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C32H35N3O4/c1-19-27(23-12-13-26-22(16-23)11-8-14-38-26)28(30(31(36)37)39-32(3,4)5)20(2)34-29(19)24-10-7-9-21(15-24)25-17-33-35(6)18-25/h7,9-10,12-13,15-18,30H,8,11,14H2,1-6H3,(H,36,37)/t30-/m0/s1
Affinity DataKd:  59nMAssay Description:Apparent binding affinity to Trx-His-tagged HIV integraseMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50011007(CHEMBL3259896)
Show SMILES Cc1nc2ccc(F)cc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C22H21ClFNO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-7-14(23)8-6-13)16-11-15(24)9-10-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)/t20-/m0/s1
Affinity DataKd:  61nMAssay Description:Binding affinity to HIV1 integrase by displacement assayMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50011010(CHEMBL3259899)
Show SMILES Cc1nc2cc(F)ccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C22H21ClFNO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-7-14(23)8-6-13)16-10-9-15(24)11-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)/t20-/m0/s1
Affinity DataKd:  68nMAssay Description:Binding affinity to HIV1 integrase by displacement assayMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50011011(CHEMBL3259900)
Show SMILES Cc1nc2cc(Cl)ccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C22H21Cl2NO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-7-14(23)8-6-13)16-10-9-15(24)11-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)/t20-/m0/s1
Affinity DataKd:  140nMAssay Description:Binding affinity to HIV1 integrase by displacement assayMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50011006(CHEMBL3259895)
Show SMILES Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C22H21BrClNO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-8-15(24)9-6-13)16-11-14(23)7-10-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)/t20-/m0/s1
Affinity DataKd:  150nMAssay Description:Binding affinity to HIV1 integrase by displacement assayMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50021272(CHEMBL3287910)
Show SMILES Cc1nc-2c(Cc3ccccc-23)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C28H29NO4/c1-16-23(26(27(30)31)33-28(2,3)4)24(19-11-12-22-18(14-19)9-7-13-32-22)21-15-17-8-5-6-10-20(17)25(21)29-16/h5-6,8,10-12,14,26H,7,9,13,15H2,1-4H3,(H,30,31)/t26-/m0/s1
Affinity DataKd:  160nMAssay Description:Apparent binding affinity to His-tagged HIV integraseMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50021264(CHEMBL3287909)
Show SMILES Cc1nc2c(ccc3ccccc23)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C29H29NO4/c1-17-24(27(28(31)32)34-29(2,3)4)25(20-12-14-23-19(16-20)9-7-15-33-23)22-13-11-18-8-5-6-10-21(18)26(22)30-17/h5-6,8,10-14,16,27H,7,9,15H2,1-4H3,(H,31,32)/t27-/m0/s1
Affinity DataKd:  180nMAssay Description:Apparent binding affinity to His-tagged HIV integraseMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50011005(CHEMBL3259894)
Show SMILES CC(C)O[C@H](C(O)=O)c1c(C)nc2ccc(Br)cc2c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19BrClNO3/c1-11(2)27-20(21(25)26)18-12(3)24-17-9-6-14(22)10-16(17)19(18)13-4-7-15(23)8-5-13/h4-11,20H,1-3H3,(H,25,26)/t20-/m0/s1
Affinity DataKd:  280nMAssay Description:Binding affinity to HIV1 integrase by displacement assayMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50021276(CHEMBL3287912)
Show SMILES Cc1nc(c(C)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C28H31NO4/c1-17-23(21-13-14-22-20(16-21)12-9-15-32-22)24(26(27(30)31)33-28(3,4)5)18(2)29-25(17)19-10-7-6-8-11-19/h6-8,10-11,13-14,16,26H,9,12,15H2,1-5H3,(H,30,31)/t26-/m0/s1
Affinity DataKd:  1.00E+3nMAssay Description:Apparent binding affinity to His-tagged HIV integraseMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50021275(CHEMBL3287911)
Show SMILES Cc1nc-2c(CCCc3ccccc-23)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C30H33NO4/c1-18-25(28(29(32)33)35-30(2,3)4)26(21-14-15-24-20(17-21)11-8-16-34-24)23-13-7-10-19-9-5-6-12-22(19)27(23)31-18/h5-6,9,12,14-15,17,28H,7-8,10-11,13,16H2,1-4H3,(H,32,33)/t28-/m0/s1
Affinity DataKd:  1.10E+3nMAssay Description:Apparent binding affinity to His-tagged HIV integraseMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50076273((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Show SMILES OC(=O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
Affinity DataKd:  3.00E+3nMAssay Description:Kd value against HIV-1 integraseMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50011004(CHEMBL3259893)
Show SMILES CO[C@H](C(O)=O)c1c(C)nc2ccc(Br)cc2c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H15BrClNO3/c1-10-16(18(25-2)19(23)24)17(11-3-6-13(21)7-4-11)14-9-12(20)5-8-15(14)22-10/h3-9,18H,1-2H3,(H,23,24)/t18-/m0/s1
Affinity DataKd:  4.70E+3nMAssay Description:Binding affinity to HIV1 integrase by displacement assayMore data for this Ligand-Target Pair