Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50035423   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrase (Human immunodeficiency virus 1)	BDBM50123468 (CHEMBL32865 | [3-Benzyl-5-(1,1-dioxo-1lambda 6 -is...) Show SMILES Oc1c(ncc2cccnc12)C(=O)c1cc(CN2CCCS2(=O)=O)cc(Cc2ccccc2)c1 Show InChI InChI=1S/C26H23N3O4S/c30-25(24-26(31)23-21(16-28-24)8-4-9-27-23)22-14-19(12-18-6-2-1-3-7-18)13-20(15-22)17-29-10-5-11-34(29,32)33/h1-4,6-9,13-16,31H,5,10-12,17H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50123469 ((3-Benzyl-phenyl)-(8-hydroxy-[1,6]naphthyridin-7-y...) Show SMILES Oc1c(ncc2cccnc12)C(=O)c1cccc(Cc2ccccc2)c1 Show InChI InChI=1S/C22H16N2O2/c25-21(20-22(26)19-18(14-24-20)10-5-11-23-19)17-9-4-8-16(13-17)12-15-6-2-1-3-7-15/h1-11,13-14,26H,12H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES OC(=O)C(=O)CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 Show InChI InChI=1S/C24H20O6/c25-22(14-23(26)24(27)28)19-11-20(29-15-17-7-3-1-4-8-17)13-21(12-19)30-16-18-9-5-2-6-10-18/h1-13H,14-16H2,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50141234 (CHEMBL409132 | N,N'-Bis-(4-{4-[4-(3-dimethylamino-...) Show SMILES CC1C=C(NC(=O)C2=CC(NC(=O)C3=CC(=CC3C)N(C)C(=O)c3ccc(cc3)C(=O)N(C)C3=CC(C)C(=C3)C(=O)NC3=CC(C)C(=C3)C(=O)NC3=CC(C)C(=C3)C(=O)NCCCN(C)C)=CC2C)C=C1C(=O)NCCCN(C)C |c:15,39,49,59,70,75,t:2,7,13,35,45,55| Show InChI InChI=1S/C62H76N10O8/c1-35-23-43(29-49(35)55(73)63-19-13-21-69(7)8)65-57(75)51-31-45(25-37(51)3)67-59(77)53-33-47(27-39(53)5)71(11)61(79)41-15-17-42(18-16-41)62(80)72(12)48-28-40(6)54(34-48)60(78)68-46-26-38(4)52(32-46)58(76)66-44-24-36(2)50(30-44)56(74)64-20-14-22-70(9)10/h15-18,23-40H,13-14,19-22H2,1-12H3,(H,63,73)(H,64,74)(H,65,75)(H,66,76)(H,67,77)(H,68,78)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50141236 (CHEMBL216058 | N,N'-Bis-(4-{4-[4-(2-carbamimidoyl-...) Show SMILES CC1C=C(NC(=O)C2=CC(NC(=O)C3=CC(NC(=O)c4ccc(cc4)C(=O)NC4=CC(C)C(=C4)C(=O)NC4=CC(C)C(=C4)C(=O)NC4=CC(C)C(=C4)C(=O)NCCC(N)=N)=CC3C)=CC2C)C=C1C(=O)NCCC(N)=N |c:33,43,53,63,67,72,t:2,7,13,29,39,49| Show InChI InChI=1S/C56H62N12O8/c1-27-15-37(21-41(27)51(71)61-13-11-47(57)58)65-55(75)45-25-39(19-31(45)5)67-53(73)43-23-35(17-29(43)3)63-49(69)33-7-9-34(10-8-33)50(70)64-36-18-30(4)44(24-36)54(74)68-40-20-32(6)46(26-40)56(76)66-38-16-28(2)42(22-38)52(72)62-14-12-48(59)60/h7-10,15-32H,11-14H2,1-6H3,(H3,57,58)(H3,59,60)(H,61,71)(H,62,72)(H,63,69)(H,64,70)(H,65,75)(H,66,76)(H,67,73)(H,68,74)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50141242 (CHEMBL403498 | Pyridine-2,5-dicarboxylic acid bis-...) Show SMILES CC1C=C(NC(=O)C2=CC(NC(=O)C3=CC(NC(=O)c4ccc(nc4)C(=O)NC4=CC(C)C(=C4)C(=O)NC4=CC(C)C(=C4)C(=O)NC4=CC(C)C(=C4)C(=O)NCCC(N)=N)=CC3C)=CC2C)C=C1C(=O)NCCC(N)=N |c:33,43,53,63,67,72,t:2,7,13,29,39,49| Show InChI InChI=1S/C55H61N13O8/c1-26-13-34(19-39(26)49(70)60-11-9-46(56)57)64-52(73)42-22-36(16-29(42)4)66-51(72)41-21-33(15-28(41)3)63-48(69)32-7-8-45(62-25-32)55(76)68-38-18-31(6)44(24-38)54(75)67-37-17-30(5)43(23-37)53(74)65-35-14-27(2)40(20-35)50(71)61-12-10-47(58)59/h7-8,13-31H,9-12H2,1-6H3,(H3,56,57)(H3,58,59)(H,60,70)(H,61,71)(H,63,69)(H,64,73)(H,65,74)(H,66,72)(H,67,75)(H,68,76)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1 Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50141230 (3-Carboxy-2-(3,4-dihydroxy-benzyl)-4-(3,4-dihydrox...) Show SMILES CC(Cc1ccc(O)c(O)c1)(C(O)=O)C(C)(Cc1ccc(O)c(O)c1)C([O-])=O Show InChI InChI=1S/C20H22O8/c1-19(17(25)26,9-11-3-5-13(21)15(23)7-11)20(2,18(27)28)10-12-4-6-14(22)16(24)8-12/h3-8,21-24H,9-10H2,1-2H3,(H,25,26)(H,27,28)/p-1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50141230 (3-Carboxy-2-(3,4-dihydroxy-benzyl)-4-(3,4-dihydrox...) Show SMILES CC(Cc1ccc(O)c(O)c1)(C(O)=O)C(C)(Cc1ccc(O)c(O)c1)C([O-])=O Show InChI InChI=1S/C20H22O8/c1-19(17(25)26,9-11-3-5-13(21)15(23)7-11)20(2,18(27)28)10-12-4-6-14(22)16(24)8-12/h3-8,21-24H,9-10H2,1-2H3,(H,25,26)(H,27,28)/p-1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50141240 ((Z)-4-(3,4-Bis-azidomethyl-phenyl)-2-hydroxy-4-oxo...) Show SMILES [O-]C(=O)C(=O)CC(=O)c1ccc(CN=[N+]=[N-])c(CN=[N+]=[N-])c1 Show InChI InChI=1S/C12H10N6O4/c13-17-15-5-8-2-1-7(3-9(8)6-16-18-14)10(19)4-11(20)12(21)22/h1-3H,4-6H2,(H,21,22)/p-1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50141226 ((Z)-4-(5,8-Diazido-5,6,7,8-tetrahydro-naphthalen-2...) Show SMILES [O-]C(=O)C(=O)CC(=O)c1ccc2C(CCC(N=[N+]=[N-])c2c1)N=[N+]=[N-] Show InChI InChI=1S/C14H12N6O4/c15-19-17-10-3-4-11(18-20-16)9-5-7(1-2-8(9)10)12(21)6-13(22)14(23)24/h1-2,5,10-11H,3-4,6H2,(H,23,24)/p-1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50055711 (3-[4-di(4,7-dihydroxy-2-oxo-2H-3-chromenyl)methylp...) Show SMILES Oc1ccc2c(O)c(C(c3ccc(cc3)C(c3c(O)c4ccc(O)cc4oc3=O)c3c(O)c4ccc(O)cc4oc3=O)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1 Show InChI InChI=1S/C44H26O16/c45-19-5-9-23-27(13-19)57-41(53)33(37(23)49)31(34-38(50)24-10-6-20(46)14-28(24)58-42(34)54)17-1-2-18(4-3-17)32(35-39(51)25-11-7-21(47)15-29(25)59-43(35)55)36-40(52)26-12-8-22(48)16-30(26)60-44(36)56/h1-16,31-32,45-52H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50141233 ((Z)-4-(1,3-Diazido-indan-5-yl)-2-hydroxy-4-oxo-but...) Show SMILES [O-]C(=O)C(=O)CC(=O)c1ccc2C(CC(N=[N+]=[N-])c2c1)N=[N+]=[N-] Show InChI InChI=1S/C13H10N6O4/c14-18-16-9-4-10(17-19-15)8-3-6(1-2-7(8)9)11(20)5-12(21)13(22)23/h1-3,9-10H,4-5H2,(H,22,23)/p-1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50141232 (3-[3-((E)-3,4-Dihydroxy-phenyl)-acryloylamino]-2-[...) Show SMILES Oc1ccc(\C=C\C(=O)NCC(OC(=O)\C=C\c2ccc(O)c(O)c2)C([O-])=O)cc1O Show InChI InChI=1S/C21H19NO9/c23-14-5-1-12(9-16(14)25)3-7-19(27)22-11-18(21(29)30)31-20(28)8-4-13-2-6-15(24)17(26)10-13/h1-10,18,23-26H,11H2,(H,22,27)(H,29,30)/p-1/b7-3+,8-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50123470 ((3-Benzyl-phenyl)-(8-hydroxy-quinolin-7-yl)-methan...) Show SMILES Oc1c(ccc2cccnc12)C(=O)c1cccc(Cc2ccccc2)c1 Show InChI InChI=1S/C23H17NO2/c25-22(20-12-11-18-10-5-13-24-21(18)23(20)26)19-9-4-8-17(15-19)14-16-6-2-1-3-7-16/h1-13,15,26H,14H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056937 (3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoi...) Show SMILES OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1 Show InChI InChI=1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50123472 (7-Benzyl-1,2-dihydroxy-xanthen-9-one | CHEMBL28809...) Show SMILES Oc1ccc2oc3ccc(Cc4ccccc4)cc3c(=O)c2c1O Show InChI InChI=1S/C20H14O4/c21-15-7-9-17-18(20(15)23)19(22)14-11-13(6-8-16(14)24-17)10-12-4-2-1-3-5-12/h1-9,11,21,23H,10H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50066325 (2-(2-Hydroxy-benzoyl)-4-[1-(4-methoxy-phenyl)-meth...) Show SMILES COc1ccc(C=c2c(=C)[nH]n(C(=O)c3ccccc3O)c2=O)cc1 |w:6.5| Show InChI InChI=1S/C19H16N2O4/c1-12-16(11-13-7-9-14(25-2)10-8-13)19(24)21(20-12)18(23)15-5-3-4-6-17(15)22/h3-11,20,22H,1H2,2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056891 (2-Hydroxy-benzoic acid N'-(2-hydroxy-benzoyl)-hydr...) Show SMILES Oc1ccccc1C(=O)NNC(=O)c1ccccc1O Show InChI InChI=1S/C14H12N2O4/c17-11-7-3-1-5-9(11)13(19)15-16-14(20)10-6-2-4-8-12(10)18/h1-8,17-18H,(H,15,19)(H,16,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50141238 (CHEMBL3138501) Show SMILES [H][C@@]12CCC(C(C)CCC(O)=O)[C@@]1(C)C(C[C@@]1([H])[C@@]2([H])C(CC2CC(CC[C@]12C)OC(=O)\C=C\c1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C51H58O14/c1-28(4-16-45(58)59)34-11-12-35-49-36(27-44(51(34,35)3)65-48(62)19-10-31-7-15-39(54)42(57)24-31)50(2)21-20-33(63-46(60)17-8-29-5-13-37(52)40(55)22-29)25-32(50)26-43(49)64-47(61)18-9-30-6-14-38(53)41(56)23-30/h5-10,13-15,17-19,22-24,28,32-36,43-44,49,52-57H,4,11-12,16,20-21,25-27H2,1-3H3,(H,58,59)/b17-8+,18-9+,19-10+/t28?,32?,33?,34?,35-,36-,43?,44?,49-,50-,51+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50141221 ((Z)-4-[3-(2-Cyano-ethyl)-phenyl]-2-hydroxy-4-oxo-b...) Show SMILES [O-]C(=O)C(=O)CC(=O)c1cccc(CCC#N)c1 Show InChI InChI=1S/C13H11NO4/c14-6-2-4-9-3-1-5-10(7-9)11(15)8-12(16)13(17)18/h1,3,5,7H,2,4,8H2,(H,17,18)/p-1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056915 (2-Chloro-3-hydroxy-8-methoxy-1,6,9-trimethyl-11-ox...) Show SMILES COc1cc(C)c2Oc3c(C=O)c(O)c(Cl)c(C)c3C(=O)Oc2c1C Show InChI InChI=1S/C18H15ClO6/c1-7-5-11(23-4)8(2)16-15(7)24-17-10(6-20)14(21)13(19)9(3)12(17)18(22)25-16/h5-6,21H,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50055716 (4-hydroxy-3-(4-hydroxy-2-oxo-2H-3-chromenyl{4-[2-p...) Show SMILES Oc1c(C(c2ccc(\C=C\c3ccccc3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 Show InChI InChI=1S/C33H22O6/c34-30-23-10-4-6-12-25(23)38-32(36)28(30)27(29-31(35)24-11-5-7-13-26(24)39-33(29)37)22-18-16-21(17-19-22)15-14-20-8-2-1-3-9-20/h1-19,27,34-35H/b15-14+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056926 (4,10-Dihydroxy-[1,7]phenanthroline-3,9-dicarboxyli...) Show SMILES OC(=O)c1cnc2c(ccc3ncc(C(O)=O)c(O)c23)c1O Show InChI InChI=1S/C14H8N2O6/c17-11-5-1-2-8-9(10(5)16-4-6(11)13(19)20)12(18)7(3-15-8)14(21)22/h1-4H,(H,15,18)(H,16,17)(H,19,20)(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50066303 (2-(2-Hydroxy-benzoyl)-4-[1-(3-hydroxy-phenyl)-meth...) Show SMILES Oc1cccc(C=c2c(=C)[nH]n(C(=O)c3ccccc3O)c2=O)c1 |w:6.5| Show InChI InChI=1S/C18H14N2O4/c1-11-15(10-12-5-4-6-13(21)9-12)18(24)20(19-11)17(23)14-7-2-3-8-16(14)22/h2-10,19,21-22H,1H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50141239 (2-[(3-Bromo-4-hydroxy-5-methoxy-phenyl)-(3-hydroxy...) Show SMILES COc1cc(cc(Br)c1O)C(C1C(=O)C(=O)c2ccccc2C1=O)c1c(O)c(O)c2ccccc2c1O Show InChI InChI=1S/C28H19BrO8/c1-37-18-11-12(10-17(29)26(18)34)19(20-22(30)13-6-2-4-8-15(13)24(32)27(20)35)21-23(31)14-7-3-5-9-16(14)25(33)28(21)36/h2-11,19-20,31,33-34,36H,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50141228 (2-Chloro-3,8-dihydroxy-11-oxo-1-pentanoyl-6-pentyl...) Show SMILES CCCCCc1cc(O)cc2OC(=O)c3c(Oc12)c(C=O)c(O)c(Cl)c3C(=O)CCCC Show InChI InChI=1S/C24H25ClO7/c1-3-5-7-8-13-10-14(27)11-17-22(13)32-23-15(12-26)21(29)20(25)18(16(28)9-6-4-2)19(23)24(30)31-17/h10-12,27,29H,3-9H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50079932 (2,3-Dihydro-1,11-dithia-3a-aza-naphtho[2,3-f]azule...) Show SMILES O=C1Sc2cc3ccccc3cc2C(=O)N2CCSC12 Show InChI InChI=1S/C15H11NO2S2/c17-13-11-7-9-3-1-2-4-10(9)8-12(11)20-15(18)14-16(13)5-6-19-14/h1-4,7-8,14H,5-6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50051646 (2-[4-chlorophenyl(3-hydroxy-1,4-dioxo-1,4-dihydro-...) Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 |w:13.14| Show InChI InChI=1S/C27H15ClO6/c28-14-11-9-13(10-12-14)19(20-22(29)15-5-1-3-7-17(15)24(31)26(20)33)21-23(30)16-6-2-4-8-18(16)25(32)27(21)34/h1-12,29,31,33H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50141231 (4-[2-(3-Formyl-2,4-dihydroxy-6-methyl-phenyl)-2-ox...) Show SMILES COC(=O)c1ccc(CC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O Show InChI InChI=1S/C19H18O7/c1-9-6-14(21)13(8-20)18(24)16(9)15(22)7-11-4-5-12(19(25)26-3)17(23)10(11)2/h4-6,8,21,23-24H,7H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50055689 (12-(4-hydroxy-2-oxochromen-3-yl)-12H-5,10- dioxate...) Show SMILES Oc1c(C2c3ccccc3Oc3c2c(=O)oc2ccccc32)c(=O)oc2ccccc12 Show InChI InChI=1S/C25H14O6/c26-22-14-8-2-5-11-17(14)30-24(27)20(22)19-13-7-1-4-10-16(13)29-23-15-9-3-6-12-18(15)31-25(28)21(19)23/h1-12,19,26H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity of compound against integrase ; 122163				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056930 (4,8-dicarboxynaphthalene-1,5-dicarboxylate | CHEMB...) Show SMILES OC(=O)c1ccc(C(O)=O)c2c(ccc(C(O)=O)c12)C(O)=O Show InChI InChI=1S/C14H8O8/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.82E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50093435 ((Z)-1-(5-Chloro-1H-indol-3-yl)-3-hydroxy-3-(1H-tet...) Show SMILES Clc1ccc2[nH]cc(C(=O)CC(=O)c3nnn[nH]3)c2c1 Show InChI InChI=1S/C12H8ClN5O2/c13-6-1-2-9-7(3-6)8(5-14-9)10(19)4-11(20)12-15-17-18-16-12/h1-3,5,14H,4H2,(H,15,16,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056874 (2-Hydroxy-benzoic acid N'-(2-hydroxy-3-phenoxy-pro...) Show SMILES OC(CNNC(=O)c1ccccc1O)COc1ccccc1 Show InChI InChI=1S/C16H18N2O4/c19-12(11-22-13-6-2-1-3-7-13)10-17-18-16(21)14-8-4-5-9-15(14)20/h1-9,12,17,19-20H,10-11H2,(H,18,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056917 (5-(2-Carboxy-phenylazo)-2-hydroxy-benzoic acid | 5...) Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccccc1C(O)=O |w:11.12| Show InChI InChI=1S/C14H10N2O5/c17-12-6-5-8(7-10(12)14(20)21)15-16-11-4-2-1-3-9(11)13(18)19/h1-7,17H,(H,18,19)(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50066300 ((4Z)-2-(4-chlorobenzoyl)-4-[(4- hydroxyphenyl)meth...) Show SMILES Oc1ccc(C=c2c(=C)[nH]n(C(=O)c3ccc(Cl)cc3)c2=O)cc1 |w:5.4| Show InChI InChI=1S/C18H13ClN2O3/c1-11-16(10-12-2-8-15(22)9-3-12)18(24)21(20-11)17(23)13-4-6-14(19)7-5-13/h2-10,20,22H,1H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.93E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50079917 (3-Phenyl-10,10a-dihydro-1H-2,9-dithia-3a-aza-benzo...) Show SMILES O=C1N2C(CSC2c2ccccc2)CSc2ccccc12 Show InChI InChI=1S/C17H15NOS2/c19-16-14-8-4-5-9-15(14)20-10-13-11-21-17(18(13)16)12-6-2-1-3-7-12/h1-9,13,17H,10-11H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50055698 (4,7-Dihydroxy-chromen-2-one | CHEMBL32810) Show SMILES Oc1ccc2c(O)cc(=O)oc2c1 Show InChI InChI=1S/C9H6O4/c10-5-1-2-6-7(11)4-9(12)13-8(6)3-5/h1-4,10-11H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50079923 (12,13-dimethoxy-5,9-dithia-3- azatricyclo[8.4.0.0³...) Show SMILES COc1cc2SC(=O)C3CSCN3C(=O)c2cc1OC Show InChI InChI=1S/C13H13NO4S2/c1-17-9-3-7-11(4-10(9)18-2)20-13(16)8-5-19-6-14(8)12(7)15/h3-4,8H,5-6H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50079934 (CHEMBL32804 | [10-(4-Fluoro-phenyl)-4H,10H-9-thia-...) Show SMILES CN(C)Cc1ccc2C(Sc3ccccc3Cn12)c1ccc(F)cc1 Show InChI InChI=1S/C21H21FN2S/c1-23(2)14-18-11-12-19-21(15-7-9-17(22)10-8-15)25-20-6-4-3-5-16(20)13-24(18)19/h3-12,21H,13-14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair