Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'kohn' 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)	BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) Show SMILES Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O Show InChI InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H	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	100	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration				J Med Chem 38: 890-7 (1995) BindingDB Entry DOI: 10.7270/Q2959J6V
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50073628 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-[(E)-3...) Show SMILES Oc1ccc(\C=C\C(=O)OCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C20H18O8/c21-15-5-1-13(11-17(15)23)3-7-19(25)27-9-10-28-20(26)8-4-14-2-6-16(22)18(24)12-14/h1-8,11-12,21-24H,9-10H2/b7-3+,8-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50073628 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-[(E)-3...) Show SMILES Oc1ccc(\C=C\C(=O)OCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C20H18O8/c21-15-5-1-13(11-17(15)23)3-7-19(25)27-9-10-28-20(26)8-4-14-2-6-16(22)18(24)12-14/h1-8,11-12,21-24H,9-10H2/b7-3+,8-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076267 ((2S,3S)-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 |r| 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-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM23408 (2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...) Show SMILES Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O Show InChI InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H	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	800	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage				J Med Chem 38: 890-7 (1995) BindingDB Entry DOI: 10.7270/Q2959J6V
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076273 ((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 |r| 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	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076273 ((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 |r| 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	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076267 ((2S,3S)-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 |r| 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-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50009001 (5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage				J Med Chem 38: 890-7 (1995) BindingDB Entry DOI: 10.7270/Q2959J6V
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50033767 (3,3',4',5',7-pentahydroxy flavone | 3,7,3',4',5'-P...) Show SMILES Oc1ccc2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration				J Med Chem 38: 890-7 (1995) BindingDB Entry DOI: 10.7270/Q2959J6V
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076281 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-carbox...) Show SMILES OC(=O)C(COC(=O)\C=C\c1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C21H19NO9/c23-15-5-1-12(9-17(15)25)3-7-19(27)22-14(21(29)30)11-31-20(28)8-4-13-2-6-16(24)18(26)10-13/h1-10,14,23-26H,11H2,(H,22,27)(H,29,30)/b7-3+,8-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50073631 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 1-carbox...) Show SMILES OC(=O)C(COC(=O)\C=C\c1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C21H18O10/c22-14-5-1-12(9-16(14)24)3-7-19(26)30-11-18(21(28)29)31-20(27)8-4-13-2-6-15(23)17(25)10-13/h1-10,18,22-25H,11H2,(H,28,29)/b7-3+,8-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50029204 ((E)-3-(2,3,4-Trihydroxy-phenyl)-acrylic acid phene...) Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)c(O)c1O Show InChI InChI=1S/C17H16O5/c18-14-8-6-13(16(20)17(14)21)7-9-15(19)22-11-10-12-4-2-1-3-5-12/h1-9,18,20-21H,10-11H2/b9-7+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	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
National Cancer Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against HIV-1 integrase.				J Med Chem 38: 4171-8 (1995) BindingDB Entry DOI: 10.7270/Q2SB44R7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50029218 ((E)-3-(3,4,5-Trihydroxy-phenyl)-acrylic acid phene...) Show SMILES Oc1cc(\C=C\C(=O)OCCc2ccccc2)cc(O)c1O Show InChI InChI=1S/C17H16O5/c18-14-10-13(11-15(19)17(14)21)6-7-16(20)22-9-8-12-4-2-1-3-5-12/h1-7,10-11,18-19,21H,8-9H2/b7-6+	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 Curated by ChEMBL					Assay Description In vitro inhibitory activity against HIV-1 integrase.				J Med Chem 38: 4171-8 (1995) BindingDB Entry DOI: 10.7270/Q2SB44R7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076276 ((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 1-carbox...) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCC(OC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(O)=O)cc1OC(C)=O Show InChI InChI=1S/C29H26O14/c1-16(30)39-22-9-5-20(13-24(22)41-18(3)32)7-11-27(34)38-15-26(29(36)37)43-28(35)12-8-21-6-10-23(40-17(2)31)25(14-21)42-19(4)33/h5-14,26H,15H2,1-4H3,(H,36,37)/b11-7+,12-8+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	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
National Cancer Institute Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076275 ((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 2-[(E)-3...) Show SMILES COC(=O)C(COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1 Show InChI InChI=1S/C30H29NO13/c1-17(32)41-24-10-6-21(14-26(24)43-19(3)34)8-12-28(36)31-23(30(38)39-5)16-40-29(37)13-9-22-7-11-25(42-18(2)33)27(15-22)44-20(4)35/h6-15,23H,16H2,1-5H3,(H,31,36)/b12-8+,13-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration				J Med Chem 38: 890-7 (1995) BindingDB Entry DOI: 10.7270/Q2959J6V
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076279 ((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid (S)-2-[(...) Show SMILES COC(=O)[C@H](COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1 Show InChI InChI=1S/C30H29NO13/c1-17(32)41-24-10-6-21(14-26(24)43-19(3)34)8-12-28(36)31-23(30(38)39-5)16-40-29(37)13-9-22-7-11-25(42-18(2)33)27(15-22)44-20(4)35/h6-15,23H,16H2,1-5H3,(H,31,36)/b12-8+,13-9+/t23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076280 ((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid (R)-2-[(...) Show SMILES COC(=O)[C@@H](COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1 Show InChI InChI=1S/C30H29NO13/c1-17(32)41-24-10-6-21(14-26(24)43-19(3)34)8-12-28(36)31-23(30(38)39-5)16-40-29(37)13-9-22-7-11-25(42-18(2)33)27(15-22)44-20(4)35/h6-15,23H,16H2,1-5H3,(H,31,36)/b12-8+,13-9+/t23-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076276 ((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 1-carbox...) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCC(OC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(O)=O)cc1OC(C)=O Show InChI InChI=1S/C29H26O14/c1-16(30)39-22-9-5-20(13-24(22)41-18(3)32)7-11-27(34)38-15-26(29(36)37)43-28(35)12-8-21-6-10-23(40-17(2)31)25(14-21)42-19(4)33/h5-14,26H,15H2,1-4H3,(H,36,37)/b11-7+,12-8+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50029213 (3-(3,4-Dihydroxy-phenyl)-N-[2-(3,4-dihydroxy-pheny...) Show SMILES Oc1ccc(CCNC(=O)CCc2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C17H19NO5/c19-13-4-1-11(9-15(13)21)3-6-17(23)18-8-7-12-2-5-14(20)16(22)10-12/h1-2,4-5,9-10,19-22H,3,6-8H2,(H,18,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against HIV-1 integrase.				J Med Chem 38: 4171-8 (1995) BindingDB Entry DOI: 10.7270/Q2SB44R7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076275 ((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 2-[(E)-3...) Show SMILES COC(=O)C(COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1 Show InChI InChI=1S/C30H29NO13/c1-17(32)41-24-10-6-21(14-26(24)43-19(3)34)8-12-28(36)31-23(30(38)39-5)16-40-29(37)13-9-22-7-11-25(42-18(2)33)27(15-22)44-20(4)35/h6-15,23H,16H2,1-5H3,(H,31,36)/b12-8+,13-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076280 ((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid (R)-2-[(...) Show SMILES COC(=O)[C@@H](COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1 Show InChI InChI=1S/C30H29NO13/c1-17(32)41-24-10-6-21(14-26(24)43-19(3)34)8-12-28(36)31-23(30(38)39-5)16-40-29(37)13-9-22-7-11-25(42-18(2)33)27(15-22)44-20(4)35/h6-15,23H,16H2,1-5H3,(H,31,36)/b12-8+,13-9+/t23-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076281 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-carbox...) Show SMILES OC(=O)C(COC(=O)\C=C\c1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C21H19NO9/c23-15-5-1-12(9-17(15)25)3-7-19(27)22-14(21(29)30)11-31-20(28)8-4-13-2-6-16(24)18(26)10-13/h1-10,14,23-26H,11H2,(H,22,27)(H,29,30)/b7-3+,8-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076279 ((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid (S)-2-[(...) Show SMILES COC(=O)[C@H](COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1 Show InChI InChI=1S/C30H29NO13/c1-17(32)41-24-10-6-21(14-26(24)43-19(3)34)8-12-28(36)31-23(30(38)39-5)16-40-29(37)13-9-22-7-11-25(42-18(2)33)27(15-22)44-20(4)35/h6-15,23H,16H2,1-5H3,(H,31,36)/b12-8+,13-9+/t23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50029202 (3-(3,4-Dihydroxy-phenyl)-N-[2-(3,4,5-trihydroxy-ph...) Show SMILES Oc1ccc(CCC(=O)NCCc2cc(O)c(O)c(O)c2)cc1O Show InChI InChI=1S/C17H19NO6/c19-12-3-1-10(7-13(12)20)2-4-16(23)18-6-5-11-8-14(21)17(24)15(22)9-11/h1,3,7-9,19-22,24H,2,4-6H2,(H,18,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against HIV-1 integrase.				J Med Chem 38: 4171-8 (1995) BindingDB Entry DOI: 10.7270/Q2SB44R7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076272 (2,3-Bis-[(E)-3-(3,4-diacetoxy-phenyl)-acryloylamin...) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)NCC(NC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(O)=O)cc1OC(C)=O Show InChI InChI=1S/C29H28N2O12/c1-16(32)40-23-9-5-20(13-25(23)42-18(3)34)7-11-27(36)30-15-22(29(38)39)31-28(37)12-8-21-6-10-24(41-17(2)33)26(14-21)43-19(4)35/h5-14,22H,15H2,1-4H3,(H,30,36)(H,31,37)(H,38,39)/b11-7+,12-8+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076272 (2,3-Bis-[(E)-3-(3,4-diacetoxy-phenyl)-acryloylamin...) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)NCC(NC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(O)=O)cc1OC(C)=O Show InChI InChI=1S/C29H28N2O12/c1-16(32)40-23-9-5-20(13-25(23)42-18(3)34)7-11-27(36)30-15-22(29(38)39)31-28(37)12-8-21-6-10-24(41-17(2)33)26(14-21)43-19(4)35/h5-14,22H,15H2,1-4H3,(H,30,36)(H,31,37)(H,38,39)/b11-7+,12-8+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50073631 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 1-carbox...) Show SMILES OC(=O)C(COC(=O)\C=C\c1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C21H18O10/c22-14-5-1-12(9-16(14)24)3-7-19(26)30-11-18(21(28)29)31-20(27)8-4-13-2-6-15(23)17(25)10-13/h1-10,18,22-25H,11H2,(H,28,29)/b7-3+,8-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50009001 (5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration				J Med Chem 38: 890-7 (1995) BindingDB Entry DOI: 10.7270/Q2959J6V
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076263 ((2S,3S)-2,3-Bis-[(E)-3-(3,4-diacetoxy-phenyl)-acry...) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)O[C@@H]([C@H](OC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(O)=O)C(O)=O)cc1OC(C)=O Show InChI InChI=1S/C30H26O16/c1-15(31)41-21-9-5-19(13-23(21)43-17(3)33)7-11-25(35)45-27(29(37)38)28(30(39)40)46-26(36)12-8-20-6-10-22(42-16(2)32)24(14-20)44-18(4)34/h5-14,27-28H,1-4H3,(H,37,38)(H,39,40)/b11-7+,12-8+/t27-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50033767 (3,3',4',5',7-pentahydroxy flavone | 3,7,3',4',5'-P...) Show SMILES Oc1ccc2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage				J Med Chem 38: 890-7 (1995) BindingDB Entry DOI: 10.7270/Q2959J6V
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076269 ((2R,3R)-2,3-Bis-[(E)-3-(3,4-diacetoxy-phenyl)-acry...) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)O[C@H]([C@@H](OC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(O)=O)C(O)=O)cc1OC(C)=O Show InChI InChI=1S/C30H26O16/c1-15(31)41-21-9-5-19(13-23(21)43-17(3)33)7-11-25(35)45-27(29(37)38)28(30(39)40)46-26(36)12-8-20-6-10-22(42-16(2)32)24(14-20)44-18(4)34/h5-14,27-28H,1-4H3,(H,37,38)(H,39,40)/b11-7+,12-8+/t27-,28-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076271 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-[(E)-3...) Show SMILES Oc1ccc(\C=C\C(=O)NCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C20H19NO7/c22-15-5-1-13(11-17(15)24)3-7-19(26)21-9-10-28-20(27)8-4-14-2-6-16(23)18(25)12-14/h1-8,11-12,22-25H,9-10H2,(H,21,26)/b7-3+,8-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O Show InChI InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+	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	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against HIV-1 integrase.				J Med Chem 38: 4171-8 (1995) BindingDB Entry DOI: 10.7270/Q2SB44R7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50073636 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-[(E)-3...) Show SMILES Oc1ccc(\C=C\C(=O)OCCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C21H20O8/c22-16-6-2-14(12-18(16)24)4-8-20(26)28-10-1-11-29-21(27)9-5-15-3-7-17(23)19(25)13-15/h2-9,12-13,22-25H,1,10-11H2/b8-4+,9-5+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage				J Med Chem 38: 890-7 (1995) BindingDB Entry DOI: 10.7270/Q2959J6V
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076274 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid (1S,2S)-...) Show SMILES Oc1ccc(\C=C\C(=O)O[C@H]2CCCC[C@@H]2OC(=O)\C=C\c2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C24H24O8/c25-17-9-5-15(13-19(17)27)7-11-23(29)31-21-3-1-2-4-22(21)32-24(30)12-8-16-6-10-18(26)20(28)14-16/h5-14,21-22,25-28H,1-4H2/b11-7+,12-8+/t21-,22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076268 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid (1S,2S)-...) Show SMILES C[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@H](C)OC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C22H22O8/c1-13(29-21(27)9-5-15-3-7-17(23)19(25)11-15)14(2)30-22(28)10-6-16-4-8-18(24)20(26)12-16/h3-14,23-26H,1-2H3/b9-5+,10-6+/t13-,14-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50029224 (5,6-Dihydroxy-naphthalene-2-carboxylic acid methyl...) Show SMILES COC(=O)c1ccc2c(O)c(O)ccc2c1 Show InChI InChI=1S/C12H10O4/c1-16-12(15)8-2-4-9-7(6-8)3-5-10(13)11(9)14/h2-6,13-14H,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
National Cancer Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against HIV-1 integrase.				J Med Chem 38: 4171-8 (1995) BindingDB Entry DOI: 10.7270/Q2SB44R7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50029219 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-phenyl...) Show SMILES Oc1ccc(\C=C\C(=O)OCCCc2ccccc2)cc1O Show InChI InChI=1S/C18H18O4/c19-16-10-8-15(13-17(16)20)9-11-18(21)22-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13,19-20H,4,7,12H2/b11-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
National Cancer Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against HIV-1 integrase.				J Med Chem 38: 4171-8 (1995) BindingDB Entry DOI: 10.7270/Q2SB44R7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM7457 (2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration				J Med Chem 38: 890-7 (1995) BindingDB Entry DOI: 10.7270/Q2959J6V
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50029198 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid benzyl e...) Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1O Show InChI InChI=1S/C16H14O4/c17-14-8-6-12(10-15(14)18)7-9-16(19)20-11-13-4-2-1-3-5-13/h1-10,17-18H,11H2/b9-7+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE 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
National Cancer Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against HIV-1 integrase.				J Med Chem 38: 4171-8 (1995) BindingDB Entry DOI: 10.7270/Q2SB44R7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076269 ((2R,3R)-2,3-Bis-[(E)-3-(3,4-diacetoxy-phenyl)-acry...) Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)O[C@H]([C@@H](OC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(O)=O)C(O)=O)cc1OC(C)=O Show InChI InChI=1S/C30H26O16/c1-15(31)41-21-9-5-19(13-23(21)43-17(3)33)7-11-25(35)45-27(29(37)38)28(30(39)40)46-26(36)12-8-20-6-10-22(42-16(2)32)24(14-20)44-18(4)34/h5-14,27-28H,1-4H3,(H,37,38)(H,39,40)/b11-7+,12-8+/t27-,28-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076262 (2,3-Bis-[(E)-3-(3,4-diacetoxy-phenyl)-acryloylamin...) Show SMILES COC(=O)[C@@H](CNC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1 |r| Show InChI InChI=1S/C30H30N2O12/c1-17(33)41-24-10-6-21(14-26(24)43-19(3)35)8-12-28(37)31-16-23(30(39)40-5)32-29(38)13-9-22-7-11-25(42-18(2)34)27(15-22)44-20(4)36/h6-15,23H,16H2,1-5H3,(H,31,37)(H,32,38)/b12-8+,13-9+/t23-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076282 ((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 2-[(E)-3...) Show SMILES COC(=O)C(COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)OC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1 Show InChI InChI=1S/C30H28O14/c1-17(31)40-23-10-6-21(14-25(23)42-19(3)33)8-12-28(35)39-16-27(30(37)38-5)44-29(36)13-9-22-7-11-24(41-18(2)32)26(15-22)43-20(4)34/h6-15,27H,16H2,1-5H3/b12-8+,13-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076282 ((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 2-[(E)-3...) Show SMILES COC(=O)C(COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)OC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1 Show InChI InChI=1S/C30H28O14/c1-17(31)40-23-10-6-21(14-25(23)42-19(3)33)8-12-28(35)39-16-27(30(37)38-5)44-29(36)13-9-22-7-11-24(41-18(2)32)26(15-22)43-20(4)34/h6-15,27H,16H2,1-5H3/b12-8+,13-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50369073 (CHEMBL1159644) Show SMILES C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1Oc1c(O)c2c(cc(O)cc2=O)oc1-c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C21H20O12/c1-6-18(16(28)17(29)21(30)31-6)33-20-15(27)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)14(26)11(25)3-7/h2-6,16-18,21-22,24-30H,1H3/t6-,16-,17+,18-,21+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration				J Med Chem 38: 890-7 (1995) BindingDB Entry DOI: 10.7270/Q2959J6V
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50076262 (2,3-Bis-[(E)-3-(3,4-diacetoxy-phenyl)-acryloylamin...) Show SMILES COC(=O)[C@@H](CNC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1 |r| Show InChI InChI=1S/C30H30N2O12/c1-17(33)41-24-10-6-21(14-26(24)43-19(3)35)8-12-28(37)31-16-23(30(39)40-5)32-29(38)13-9-22-7-11-25(42-18(2)34)27(15-22)44-20(4)36/h6-15,23H,16H2,1-5H3,(H,31,37)(H,32,38)/b12-8+,13-9+/t23-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50029211 (3-(3,4-Dihydroxy-phenyl)-propionic acid phenethyl ...) Show SMILES Oc1ccc(CCC(=O)OCCc2ccccc2)cc1O Show InChI InChI=1S/C17H18O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-6,8,12,18-19H,7,9-11H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against HIV-1 integrase.				J Med Chem 38: 4171-8 (1995) BindingDB Entry DOI: 10.7270/Q2SB44R7
					More data for this Ligand-Target Pair

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