Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'cowansage' and Initial = 'k'   

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)	BDBM50115572 ((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					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	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM107693 ((2Z)-4-(5-chloro-1H-indol-3-yl)-2-hydroxy-4-oxobut...) Show SMILES OC(=O)C(=O)CC(=O)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C12H8ClNO4/c13-6-1-2-9-7(3-6)8(5-14-9)10(15)4-11(16)12(17)18/h1-3,5,14H,4H2,(H,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					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 PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					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	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mn+2, and drug for 30 min followed by DNA for 1h) in strand transfer of preassemble				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50370120 (CHEMBL611459) Show SMILES OC(=O)C(=O)CC(=O)C1=CC=CC1 |c:10,t:8| Show InChI InChI=1S/C9H8O4/c10-7(5-8(11)9(12)13)6-3-1-2-4-6/h1-3H,4-5H2,(H,12,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115582 ((Z)-4-[4-(3-Carboxy-3-hydroxy-acryloyl)-phenyl]-2-...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C14H10O8/c15-9(5-11(17)13(19)20)7-1-2-8(4-3-7)10(16)6-12(18)14(21)22/h1-4H,5-6H2,(H,19,20)(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115570 ((Z)-2-Hydroxy-4-(1H-indol-3-yl)-4-oxo-but-2-enoic ...) Show SMILES OC(=O)C(=O)CC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C12H9NO4/c14-10(5-11(15)12(16)17)8-6-13-9-4-2-1-3-7(8)9/h1-4,6,13H,5H2,(H,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115575 (1-(5-Fluoro-1H-indol-3-yl)-3-hydroxy-3-(1H-tetrazo...) Show SMILES Fc1ccc2[nH]cc(C(=O)CC(=O)c3nnn[nH]3)c2c1 Show InChI InChI=1S/C12H8FN5O2/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 PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115580 ((Z)-4-[3-(3-Carboxy-3-hydroxy-acryloyl)-phenyl]-2-...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(c1)C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C14H10O8/c15-9(5-11(17)13(19)20)7-2-1-3-8(4-7)10(16)6-12(18)14(21)22/h1-4H,5-6H2,(H,19,20)(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115573 (3-Hydroxy-1-(1H-indol-3-yl)-3-(1H-tetrazol-5-yl)-p...) Show SMILES O=C(CC(=O)c1c[nH]c2ccccc12)c1nnn[nH]1 Show InChI InChI=1S/C12H9N5O2/c18-10(5-11(19)12-14-16-17-15-12)8-6-13-9-4-2-1-3-7(8)9/h1-4,6,13H,5H2,(H,14,15,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay in experiment 1				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50083953 ((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Br)c1 Show InChI InChI=1S/C10H7BrO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay in experiment 1				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115573 (3-Hydroxy-1-(1H-indol-3-yl)-3-(1H-tetrazol-5-yl)-p...) Show SMILES O=C(CC(=O)c1c[nH]c2ccccc12)c1nnn[nH]1 Show InChI InChI=1S/C12H9N5O2/c18-10(5-11(19)12-14-16-17-15-12)8-6-13-9-4-2-1-3-7(8)9/h1-4,6,13H,5H2,(H,14,15,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay in experiment 2				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					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	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mn+2, and drug for 30 min followed by DNA for 1h) in 3''-processing of preassemble				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121970 (11,12,13,14,25,26,27,28-octahydrotetrabenzo[c,i,m,...) Show SMILES O=C1NNC(=O)c2ccccc2SSc2ccccc2C(=O)NNC(=O)c2ccccc2SSc2ccccc12 Show InChI InChI=1S/C28H20N4O4S4/c33-25-17-9-1-5-13-21(17)37-38-22-14-6-2-10-18(22)27(35)31-32-28(36)20-12-4-8-16-24(20)40-39-23-15-7-3-11-19(23)26(34)30-29-25/h1-16H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mn+2, and drug for 30 min followed by DNA for 1h) in 3''-processing of preassemble				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50083953 ((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Br)c1 Show InChI InChI=1S/C10H7BrO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay in experiment 2				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121972 (CHEMBL157373 | Compound 3) Show SMILES Sc1ccccc1C(=O)NNC(=O)c1ccccc1SSc1ccccc1C(=O)NNC(=O)c1ccccc1S Show InChI InChI=1S/C28H22N4O4S4/c33-25(17-9-1-5-13-21(17)37)29-31-27(35)19-11-3-7-15-23(19)39-40-24-16-8-4-12-20(24)28(36)32-30-26(34)18-10-2-6-14-22(18)38/h1-16,37-38H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mn+2, and drug for 30 min followed by DNA for 1h) in 3''-processing of preassemble				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121972 (CHEMBL157373 | Compound 3) Show SMILES Sc1ccccc1C(=O)NNC(=O)c1ccccc1SSc1ccccc1C(=O)NNC(=O)c1ccccc1S Show InChI InChI=1S/C28H22N4O4S4/c33-25(17-9-1-5-13-21(17)37)29-31-27(35)19-11-3-7-15-23(19)39-40-24-16-8-4-12-20(24)28(36)32-30-26(34)18-10-2-6-14-22(18)38/h1-16,37-38H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mn+2, and drug for 30 min followed by DNA for 1h) in strand transfer of preassemble				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121970 (11,12,13,14,25,26,27,28-octahydrotetrabenzo[c,i,m,...) Show SMILES O=C1NNC(=O)c2ccccc2SSc2ccccc2C(=O)NNC(=O)c2ccccc2SSc2ccccc12 Show InChI InChI=1S/C28H20N4O4S4/c33-25-17-9-1-5-13-21(17)37-38-22-14-6-2-10-18(22)27(35)31-32-28(36)20-12-4-8-16-24(20)40-39-23-15-7-3-11-19(23)26(34)30-29-25/h1-16H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mg+2, and DNA on ice for 15 min followed by drug for 1h) in strand transfer of postass...				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121971 (2-Mercapto-benzoic acid N'-(2-mercapto-benzoyl)-hy...) Show SMILES Sc1ccccc1C(=O)NNC(=O)c1ccccc1S Show InChI InChI=1S/C14H12N2O2S2/c17-13(9-5-1-3-7-11(9)19)15-16-14(18)10-6-2-4-8-12(10)20/h1-8,19-20H,(H,15,17)(H,16,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mn+2, and drug for 30 min followed by DNA for 1h) in strand transfer of preassemble				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121970 (11,12,13,14,25,26,27,28-octahydrotetrabenzo[c,i,m,...) Show SMILES O=C1NNC(=O)c2ccccc2SSc2ccccc2C(=O)NNC(=O)c2ccccc2SSc2ccccc12 Show InChI InChI=1S/C28H20N4O4S4/c33-25-17-9-1-5-13-21(17)37-38-22-14-6-2-10-18(22)27(35)31-32-28(36)20-12-4-8-16-24(20)40-39-23-15-7-3-11-19(23)26(34)30-29-25/h1-16H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mn+2, and DNA on ice for 15 min followed by drug for 1h) in 3'' processing of postasse...				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121970 (11,12,13,14,25,26,27,28-octahydrotetrabenzo[c,i,m,...) Show SMILES O=C1NNC(=O)c2ccccc2SSc2ccccc2C(=O)NNC(=O)c2ccccc2SSc2ccccc12 Show InChI InChI=1S/C28H20N4O4S4/c33-25-17-9-1-5-13-21(17)37-38-22-14-6-2-10-18(22)27(35)31-32-28(36)20-12-4-8-16-24(20)40-39-23-15-7-3-11-19(23)26(34)30-29-25/h1-16H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mn+2, and DNA on ice for 15 min followed by drug for 1h) in strand transfer of postass...				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121971 (2-Mercapto-benzoic acid N'-(2-mercapto-benzoyl)-hy...) Show SMILES Sc1ccccc1C(=O)NNC(=O)c1ccccc1S Show InChI InChI=1S/C14H12N2O2S2/c17-13(9-5-1-3-7-11(9)19)15-16-14(18)10-6-2-4-8-12(10)20/h1-8,19-20H,(H,15,17)(H,16,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mn+2, and drug for 30 min followed by DNA for 1h) in 3''-processing of preassemble				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115588 (4-[2-(3-Carboxy-3-hydroxy-acryloyl)-quinolin-4-yl]...) Show SMILES OC(=O)C(=O)CC(=O)c1cc(C(=O)CC(=O)C(O)=O)c2ccccc2n1 Show InChI InChI=1S/C17H11NO8/c19-12(6-14(21)16(23)24)9-5-11(13(20)7-15(22)17(25)26)18-10-4-2-1-3-8(9)10/h1-5H,6-7H2,(H,23,24)(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115587 (4-(5-Chloro-1H-indol-3-yl)-2-hydroxy-4-oxo-but-2-e...) Show SMILES CCOC(=O)C(=O)CC(=O)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C14H12ClNO4/c1-2-20-14(19)13(18)6-12(17)10-7-16-11-4-3-8(15)5-9(10)11/h3-5,7,16H,2,6H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121970 (11,12,13,14,25,26,27,28-octahydrotetrabenzo[c,i,m,...) Show SMILES O=C1NNC(=O)c2ccccc2SSc2ccccc2C(=O)NNC(=O)c2ccccc2SSc2ccccc12 Show InChI InChI=1S/C28H20N4O4S4/c33-25-17-9-1-5-13-21(17)37-38-22-14-6-2-10-18(22)27(35)31-32-28(36)20-12-4-8-16-24(20)40-39-23-15-7-3-11-19(23)26(34)30-29-25/h1-16H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mg+2, and DNA on ice for 15 min followed by drug for 1h) in 3'' processing of postasse...				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115582 ((Z)-4-[4-(3-Carboxy-3-hydroxy-acryloyl)-phenyl]-2-...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C14H10O8/c15-9(5-11(17)13(19)20)7-1-2-8(4-3-7)10(16)6-12(18)14(21)22/h1-4H,5-6H2,(H,19,20)(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on 3'-processing(3'-P) of proviral DNA in an extracellular HIV-1 integrase assay in experiment 1				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121970 (11,12,13,14,25,26,27,28-octahydrotetrabenzo[c,i,m,...) Show SMILES O=C1NNC(=O)c2ccccc2SSc2ccccc2C(=O)NNC(=O)c2ccccc2SSc2ccccc12 Show InChI InChI=1S/C28H20N4O4S4/c33-25-17-9-1-5-13-21(17)37-38-22-14-6-2-10-18(22)27(35)31-32-28(36)20-12-4-8-16-24(20)40-39-23-15-7-3-11-19(23)26(34)30-29-25/h1-16H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mn+2, and drug for 30 min followed by DNA for 1h) in strand transfer of preassemble				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115582 ((Z)-4-[4-(3-Carboxy-3-hydroxy-acryloyl)-phenyl]-2-...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C14H10O8/c15-9(5-11(17)13(19)20)7-1-2-8(4-3-7)10(16)6-12(18)14(21)22/h1-4H,5-6H2,(H,19,20)(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on 3'-processing(3'-P) of proviral DNA in an extracellular HIV-1 integrase assay in experiment 2				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115581 ((Z)-2-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-but-2-eno...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H12O5/c17-14(10-15(18)16(19)20)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9H,10H2,(H,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay in experiment 1				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115580 ((Z)-4-[3-(3-Carboxy-3-hydroxy-acryloyl)-phenyl]-2-...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(c1)C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C14H10O8/c15-9(5-11(17)13(19)20)7-2-1-3-8(4-7)10(16)6-12(18)14(21)22/h1-4H,5-6H2,(H,19,20)(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on 3'-processing(3'-P) of proviral DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121972 (CHEMBL157373 | Compound 3) Show SMILES Sc1ccccc1C(=O)NNC(=O)c1ccccc1SSc1ccccc1C(=O)NNC(=O)c1ccccc1S Show InChI InChI=1S/C28H22N4O4S4/c33-25(17-9-1-5-13-21(17)37)29-31-27(35)19-11-3-7-15-23(19)39-40-24-16-8-4-12-20(24)28(36)32-30-26(34)18-10-2-6-14-22(18)38/h1-16,37-38H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mn+2, and DNA on ice for 15 min followed by drug for 1h) in 3'' processing of postasse...				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121972 (CHEMBL157373 | Compound 3) Show SMILES Sc1ccccc1C(=O)NNC(=O)c1ccccc1SSc1ccccc1C(=O)NNC(=O)c1ccccc1S Show InChI InChI=1S/C28H22N4O4S4/c33-25(17-9-1-5-13-21(17)37)29-31-27(35)19-11-3-7-15-23(19)39-40-24-16-8-4-12-20(24)28(36)32-30-26(34)18-10-2-6-14-22(18)38/h1-16,37-38H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mn+2, and DNA on ice for 15 min followed by drug for 1h) in strand transfer of postass...				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					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	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mn+2, and DNA on ice for 15 min followed by drug for 1h) in strand transfer of postass...				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121972 (CHEMBL157373 | Compound 3) Show SMILES Sc1ccccc1C(=O)NNC(=O)c1ccccc1SSc1ccccc1C(=O)NNC(=O)c1ccccc1S Show InChI InChI=1S/C28H22N4O4S4/c33-25(17-9-1-5-13-21(17)37)29-31-27(35)19-11-3-7-15-23(19)39-40-24-16-8-4-12-20(24)28(36)32-30-26(34)18-10-2-6-14-22(18)38/h1-16,37-38H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mg+2, and drug for 30 min followed by DNA for 1h) in strand transfer of preassemble				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121971 (2-Mercapto-benzoic acid N'-(2-mercapto-benzoyl)-hy...) Show SMILES Sc1ccccc1C(=O)NNC(=O)c1ccccc1S Show InChI InChI=1S/C14H12N2O2S2/c17-13(9-5-1-3-7-11(9)19)15-16-14(18)10-6-2-4-8-12(10)20/h1-8,19-20H,(H,15,17)(H,16,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mg+2, and drug for 30 min followed by DNA for 1h) in strand transfer of preassemble				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121970 (11,12,13,14,25,26,27,28-octahydrotetrabenzo[c,i,m,...) Show SMILES O=C1NNC(=O)c2ccccc2SSc2ccccc2C(=O)NNC(=O)c2ccccc2SSc2ccccc12 Show InChI InChI=1S/C28H20N4O4S4/c33-25-17-9-1-5-13-21(17)37-38-22-14-6-2-10-18(22)27(35)31-32-28(36)20-12-4-8-16-24(20)40-39-23-15-7-3-11-19(23)26(34)30-29-25/h1-16H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mg+2, and drug for 30 min followed by DNA for 1h) in 3''-processing of preassemble				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121970 (11,12,13,14,25,26,27,28-octahydrotetrabenzo[c,i,m,...) Show SMILES O=C1NNC(=O)c2ccccc2SSc2ccccc2C(=O)NNC(=O)c2ccccc2SSc2ccccc12 Show InChI InChI=1S/C28H20N4O4S4/c33-25-17-9-1-5-13-21(17)37-38-22-14-6-2-10-18(22)27(35)31-32-28(36)20-12-4-8-16-24(20)40-39-23-15-7-3-11-19(23)26(34)30-29-25/h1-16H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mg+2, and drug for 30 min followed by DNA for 1h) in strand transfer of preassemble				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50370120 (CHEMBL611459) Show SMILES OC(=O)C(=O)CC(=O)C1=CC=CC1 |c:10,t:8| Show InChI InChI=1S/C9H8O4/c10-7(5-8(11)9(12)13)6-3-1-2-4-6/h1-3H,4-5H2,(H,12,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on 3'-processing(3'-P) of proviral DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121971 (2-Mercapto-benzoic acid N'-(2-mercapto-benzoyl)-hy...) Show SMILES Sc1ccccc1C(=O)NNC(=O)c1ccccc1S Show InChI InChI=1S/C14H12N2O2S2/c17-13(9-5-1-3-7-11(9)19)15-16-14(18)10-6-2-4-8-12(10)20/h1-8,19-20H,(H,15,17)(H,16,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mn+2, and DNA on ice for 15 min followed by drug for 1h) in strand transfer of postass...				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					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	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mn+2, and DNA on ice for 15 min followed by drug for 1h) in 3'' processing of postasse...				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121972 (CHEMBL157373 | Compound 3) Show SMILES Sc1ccccc1C(=O)NNC(=O)c1ccccc1SSc1ccccc1C(=O)NNC(=O)c1ccccc1S Show InChI InChI=1S/C28H22N4O4S4/c33-25(17-9-1-5-13-21(17)37)29-31-27(35)19-11-3-7-15-23(19)39-40-24-16-8-4-12-20(24)28(36)32-30-26(34)18-10-2-6-14-22(18)38/h1-16,37-38H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mg+2, and drug for 30 min followed by DNA for 1h) in 3''-processing of preassemble				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115581 ((Z)-2-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-but-2-eno...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H12O5/c17-14(10-15(18)16(19)20)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9H,10H2,(H,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay in experiment 2				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121971 (2-Mercapto-benzoic acid N'-(2-mercapto-benzoyl)-hy...) Show SMILES Sc1ccccc1C(=O)NNC(=O)c1ccccc1S Show InChI InChI=1S/C14H12N2O2S2/c17-13(9-5-1-3-7-11(9)19)15-16-14(18)10-6-2-4-8-12(10)20/h1-8,19-20H,(H,15,17)(H,16,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mg+2, and DNA on ice for 15 min followed by drug for 1h) in strand transfer of postass...				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121972 (CHEMBL157373 | Compound 3) Show SMILES Sc1ccccc1C(=O)NNC(=O)c1ccccc1SSc1ccccc1C(=O)NNC(=O)c1ccccc1S Show InChI InChI=1S/C28H22N4O4S4/c33-25(17-9-1-5-13-21(17)37)29-31-27(35)19-11-3-7-15-23(19)39-40-24-16-8-4-12-20(24)28(36)32-30-26(34)18-10-2-6-14-22(18)38/h1-16,37-38H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mg+2, and DNA on ice for 15 min followed by drug for 1h) in strand transfer of postass...				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121971 (2-Mercapto-benzoic acid N'-(2-mercapto-benzoyl)-hy...) Show SMILES Sc1ccccc1C(=O)NNC(=O)c1ccccc1S Show InChI InChI=1S/C14H12N2O2S2/c17-13(9-5-1-3-7-11(9)19)15-16-14(18)10-6-2-4-8-12(10)20/h1-8,19-20H,(H,15,17)(H,16,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mg+2, and DNA on ice for 15 min followed by drug for 1h) in 3'' processing of postasse...				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121972 (CHEMBL157373 | Compound 3) Show SMILES Sc1ccccc1C(=O)NNC(=O)c1ccccc1SSc1ccccc1C(=O)NNC(=O)c1ccccc1S Show InChI InChI=1S/C28H22N4O4S4/c33-25(17-9-1-5-13-21(17)37)29-31-27(35)19-11-3-7-15-23(19)39-40-24-16-8-4-12-20(24)28(36)32-30-26(34)18-10-2-6-14-22(18)38/h1-16,37-38H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mg+2, and DNA on ice for 15 min followed by drug for 1h) in 3'' processing of postasse...				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121971 (2-Mercapto-benzoic acid N'-(2-mercapto-benzoyl)-hy...) Show SMILES Sc1ccccc1C(=O)NNC(=O)c1ccccc1S Show InChI InChI=1S/C14H12N2O2S2/c17-13(9-5-1-3-7-11(9)19)15-16-14(18)10-6-2-4-8-12(10)20/h1-8,19-20H,(H,15,17)(H,16,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase (preincubated with Mg+2, and drug for 30 min followed by DNA for 1h) in 3''-processing of preassemble				J Med Chem 45: 5661-70 (2002) BindingDB Entry DOI: 10.7270/Q2M61JMB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115579 ((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...) Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1 Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay in experiment 1				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115579 ((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...) Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1 Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay in experiment 2				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair

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