Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'kvaratskhelia' and Initial = 'm'   

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)	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(O)=O Show InChI InChI=1S/C22H21BrClNO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-8-15(24)9-6-13)16-11-14(23)7-10-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-independant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(O)=O Show InChI InChI=1S/C22H21BrClNO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-8-15(24)9-6-13)16-11-14(23)7-10-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of biotinylated-TAR-RNA binding to HIV1 His6-tagged integrase expressed in Escherichia coli BL21(DE3) preincubated for 2 hrs followed by R...				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(O)=O Show InChI InChI=1S/C22H21BrClNO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-8-15(24)9-6-13)16-11-14(23)7-10-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-dependant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(O)=O Show InChI InChI=1S/C22H21BrClNO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-8-15(24)9-6-13)16-11-14(23)7-10-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75 binding to HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(O)=O Show InChI InChI=1S/C22H21BrClNO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-8-15(24)9-6-13)16-11-14(23)7-10-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University					Assay Description A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ...				J Biol Chem 288: 15813-20 (2013) Article DOI: 10.1074/jbc.M112.443390 BindingDB Entry DOI: 10.7270/Q23R0RP6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(O)=O Show InChI InChI=1S/C22H21BrClNO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-8-15(24)9-6-13)16-11-14(23)7-10-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University					Assay Description A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ...				J Biol Chem 288: 15813-20 (2013) Article DOI: 10.1074/jbc.M112.443390 BindingDB Entry DOI: 10.7270/Q23R0RP6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50508823 (CHEMBL4544303) Show SMILES CC(C)(C)OC(C(O)=O)c1c(nc(-c2cnn(Cc3ccccc3)c2)c2ccccc12)-c1ccc2OCCCc2c1 Show InChI InChI=1S/C34H33N3O4/c1-34(2,3)41-32(33(38)39)29-26-13-7-8-14-27(26)30(25-19-35-37(21-25)20-22-10-5-4-6-11-22)36-31(29)24-15-16-28-23(18-24)12-9-17-40-28/h4-8,10-11,13-16,18-19,21,32H,9,12,17,20H2,1-3H3,(H,38,39)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of biotinylated-TAR-RNA binding to HIV1 His6-tagged integrase expressed in Escherichia coli BL21(DE3) preincubated for 2 hrs followed by R...				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50011132 (ALLINI-1 | CHEMBL3259891) Show SMILES COC(C(O)=O)c1c(C)nc2ccc(Br)cc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H15BrClNO3/c1-10-16(18(25-2)19(23)24)17(11-3-6-13(21)7-4-11)14-9-12(20)5-8-15(14)22-10/h3-9,18H,1-2H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University					Assay Description A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ...				J Biol Chem 288: 15813-20 (2013) Article DOI: 10.1074/jbc.M112.443390 BindingDB Entry DOI: 10.7270/Q23R0RP6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50508823 (CHEMBL4544303) Show SMILES CC(C)(C)OC(C(O)=O)c1c(nc(-c2cnn(Cc3ccccc3)c2)c2ccccc12)-c1ccc2OCCCc2c1 Show InChI InChI=1S/C34H33N3O4/c1-34(2,3)41-32(33(38)39)29-26-13-7-8-14-27(26)30(25-19-35-37(21-25)20-22-10-5-4-6-11-22)36-31(29)24-15-16-28-23(18-24)12-9-17-40-28/h4-8,10-11,13-16,18-19,21,32H,9,12,17,20H2,1-3H3,(H,38,39)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-independant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM50508831 (CHEMBL4450048) Show SMILES CC(C)(C)OC(C(O)=O)c1c(nc(-c2nc3cc(Cl)ccc3[nH]2)c2ccccc12)-c1ccc2OCCCc2c1 Show InChI InChI=1S/C31H28ClN3O4/c1-31(2,3)39-28(30(36)37)25-20-8-4-5-9-21(20)27(29-33-22-12-11-19(32)16-23(22)34-29)35-26(25)18-10-13-24-17(15-18)7-6-14-38-24/h4-5,8-13,15-16,28H,6-7,14H2,1-3H3,(H,33,34)(H,36,37)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-independant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50508826 (CHEMBL4476045) Show SMILES CC(C)(C)OC(C(O)=O)c1c(nc(-c2ccc(cc2)-c2ccccc2)c2ccccc12)-c1ccc2OCCCc2c1 Show InChI InChI=1S/C36H33NO4/c1-36(2,3)41-34(35(38)39)31-28-13-7-8-14-29(28)32(25-17-15-24(16-18-25)23-10-5-4-6-11-23)37-33(31)27-19-20-30-26(22-27)12-9-21-40-30/h4-8,10-11,13-20,22,34H,9,12,21H2,1-3H3,(H,38,39)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-independant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [A1275T] (Human immunodeficiency virus 1 (Virus))	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(O)=O Show InChI InChI=1S/C22H21BrClNO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-8-15(24)9-6-13)16-11-14(23)7-10-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University					Assay Description A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ...				J Biol Chem 288: 15813-20 (2013) Article DOI: 10.1074/jbc.M112.443390 BindingDB Entry DOI: 10.7270/Q23R0RP6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50011132 (ALLINI-1 | CHEMBL3259891) Show SMILES COC(C(O)=O)c1c(C)nc2ccc(Br)cc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H15BrClNO3/c1-10-16(18(25-2)19(23)24)17(11-3-6-13(21)7-4-11)14-9-12(20)5-8-15(14)22-10/h3-9,18H,1-2H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University					Assay Description A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ...				J Biol Chem 288: 15813-20 (2013) Article DOI: 10.1074/jbc.M112.443390 BindingDB Entry DOI: 10.7270/Q23R0RP6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50508833 (CHEMBL4557062) Show SMILES COc1ccc(cc1)-c1nc(-c2ccc3OCCCc3c2)c(C(OC(C)(C)C)C(O)=O)c2ccccc12 Show InChI InChI=1S/C31H31NO5/c1-31(2,3)37-29(30(33)34)26-23-9-5-6-10-24(23)27(19-11-14-22(35-4)15-12-19)32-28(26)21-13-16-25-20(18-21)8-7-17-36-25/h5-6,9-16,18,29H,7-8,17H2,1-4H3,(H,33,34)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-independant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50508829 (CHEMBL4572060) Show SMILES COc1cccc(c1)-c1nc(-c2ccc3OCCCc3c2)c(C(OC(C)(C)C)C(O)=O)c2ccccc12 Show InChI InChI=1S/C31H31NO5/c1-31(2,3)37-29(30(33)34)26-23-12-5-6-13-24(23)27(20-9-7-11-22(18-20)35-4)32-28(26)21-14-15-25-19(17-21)10-8-16-36-25/h5-7,9,11-15,17-18,29H,8,10,16H2,1-4H3,(H,33,34)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-independant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50508825 (CHEMBL4527313) Show SMILES CC(C)(C)OC(C(O)=O)c1c(nc(-c2ccc3OCCCc3c2)c2ccccc12)-c1ccc2OCCCc2c1 Show InChI InChI=1S/C33H33NO5/c1-33(2,3)39-31(32(35)36)28-24-10-4-5-11-25(24)29(22-12-14-26-20(18-22)8-6-16-37-26)34-30(28)23-13-15-27-21(19-23)9-7-17-38-27/h4-5,10-15,18-19,31H,6-9,16-17H2,1-3H3,(H,35,36)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-independant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S] (Human immunodeficiency virus type 1)	BDBM33045 (2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophe...) Show SMILES NC(=O)c1c(N)sc2CCCCCc12 Show InChI InChI=1S/C10H14N2OS/c11-9(13)8-6-4-2-1-3-5-7(6)14-10(8)12/h1-5,12H2,(H2,11,13)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	8.0	20
National Cancer Institute					Assay Description RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...				ACS Chem Biol 3: 635-44 (2008) Article DOI: 10.1021/cb8001039 BindingDB Entry DOI: 10.7270/Q29P300F
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [613-1167,R896S,E946D,S1117V]/[618-1043,R896S,E946D] (Human immunodeficiency virus type 2)	BDBM33045 (2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophe...) Show SMILES NC(=O)c1c(N)sc2CCCCCc12 Show InChI InChI=1S/C10H14N2OS/c11-9(13)8-6-4-2-1-3-5-7(6)14-10(8)12/h1-5,12H2,(H2,11,13)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	8.0	20
National Cancer Institute					Assay Description RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...				ACS Chem Biol 3: 635-44 (2008) Article DOI: 10.1021/cb8001039 BindingDB Entry DOI: 10.7270/Q29P300F
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S] (Human immunodeficiency virus type 1)	BDBM33963 (vinylogous urea, NSC727448) Show SMILES Cc1sc(NC(=O)c2ccco2)c(C(N)=O)c1C Show InChI InChI=1S/C12H12N2O3S/c1-6-7(2)18-12(9(6)10(13)15)14-11(16)8-4-3-5-17-8/h3-5H,1-2H3,(H2,13,15)(H,14,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	8.0	20
National Cancer Institute					Assay Description RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...				ACS Chem Biol 3: 635-44 (2008) Article DOI: 10.1021/cb8001039 BindingDB Entry DOI: 10.7270/Q29P300F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50508835 (CHEMBL4526711) Show SMILES CC(C)(C)OC(C(O)=O)c1c(nc(-c2ccco2)c2ccccc12)-c1ccc2OCCCc2c1 Show InChI InChI=1S/C28H27NO5/c1-28(2,3)34-26(27(30)31)23-19-9-4-5-10-20(19)25(22-11-7-15-33-22)29-24(23)18-12-13-21-17(16-18)8-6-14-32-21/h4-5,7,9-13,15-16,26H,6,8,14H2,1-3H3,(H,30,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-independant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [A1275T] (Human immunodeficiency virus 1 (Virus))	BDBM50011132 (ALLINI-1 | CHEMBL3259891) Show SMILES COC(C(O)=O)c1c(C)nc2ccc(Br)cc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H15BrClNO3/c1-10-16(18(25-2)19(23)24)17(11-3-6-13(21)7-4-11)14-9-12(20)5-8-15(14)22-10/h3-9,18H,1-2H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University					Assay Description A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ...				J Biol Chem 288: 15813-20 (2013) Article DOI: 10.1074/jbc.M112.443390 BindingDB Entry DOI: 10.7270/Q23R0RP6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50508834 (CHEMBL4470794) Show SMILES CC(C)(C)OC(C(O)=O)c1c(nc(-c2ccccc2)c2ccccc12)-c1ccc2OCCCc2c1 Show InChI InChI=1S/C30H29NO4/c1-30(2,3)35-28(29(32)33)25-22-13-7-8-14-23(22)26(19-10-5-4-6-11-19)31-27(25)21-15-16-24-20(18-21)12-9-17-34-24/h4-8,10-11,13-16,18,28H,9,12,17H2,1-3H3,(H,32,33)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-independant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [613-1167,R896S,E946D,S1117V]/[618-1043,R896S,E946D] (Human immunodeficiency virus type 2)	BDBM33963 (vinylogous urea, NSC727448) Show SMILES Cc1sc(NC(=O)c2ccco2)c(C(N)=O)c1C Show InChI InChI=1S/C12H12N2O3S/c1-6-7(2)18-12(9(6)10(13)15)14-11(16)8-4-3-5-17-8/h3-5H,1-2H3,(H2,13,15)(H,14,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	8.0	20
National Cancer Institute					Assay Description RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...				ACS Chem Biol 3: 635-44 (2008) Article DOI: 10.1021/cb8001039 BindingDB Entry DOI: 10.7270/Q29P300F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50508827 (CHEMBL4465280) Show SMILES CC(C)(C)OC(C(O)=O)c1c(nc(-c2ccc(cc2)C(F)(F)F)c2ccccc12)-c1ccc2OCCCc2c1 Show InChI InChI=1S/C31H28F3NO4/c1-30(2,3)39-28(29(36)37)25-22-8-4-5-9-23(22)26(18-10-13-21(14-11-18)31(32,33)34)35-27(25)20-12-15-24-19(17-20)7-6-16-38-24/h4-5,8-15,17,28H,6-7,16H2,1-3H3,(H,36,37)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-independant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50508830 (CHEMBL4470920) Show SMILES CC(C)(C)OC(C(O)=O)c1c(nc(-c2ccccc2)c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C27H25NO3/c1-27(2,3)31-25(26(29)30)22-20-16-10-11-17-21(20)23(18-12-6-4-7-13-18)28-24(22)19-14-8-5-9-15-19/h4-17,25H,1-3H3,(H,29,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-independant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair
Ribonuclease H1 (Homo sapiens (Human))	BDBM33045 (2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophe...) Show SMILES NC(=O)c1c(N)sc2CCCCCc12 Show InChI InChI=1S/C10H14N2OS/c11-9(13)8-6-4-2-1-3-5-7(6)14-10(8)12/h1-5,12H2,(H2,11,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	8.0	20
National Cancer Institute					Assay Description RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...				ACS Chem Biol 3: 635-44 (2008) Article DOI: 10.1021/cb8001039 BindingDB Entry DOI: 10.7270/Q29P300F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50508832 (CHEMBL4558950) Show SMILES CC(C)(C)OC(C(O)=O)c1c(nc(-c2cccc(c2)C(O)=O)c2ccccc12)-c1ccc2OCCCc2c1 Show InChI InChI=1S/C31H29NO6/c1-31(2,3)38-28(30(35)36)25-22-11-4-5-12-23(22)26(19-8-6-9-21(17-19)29(33)34)32-27(25)20-13-14-24-18(16-20)10-7-15-37-24/h4-6,8-9,11-14,16-17,28H,7,10,15H2,1-3H3,(H,33,34)(H,35,36)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-independant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50508828 (CHEMBL4454444) Show SMILES CC(C)(C)OC(C(O)=O)c1c(nc(-c2cccc(F)c2)c2ccccc12)-c1ccc2OCCCc2c1 Show InChI InChI=1S/C30H28FNO4/c1-30(2,3)36-28(29(33)34)25-22-11-4-5-12-23(22)26(19-8-6-10-21(31)17-19)32-27(25)20-13-14-24-18(16-20)9-7-15-35-24/h4-6,8,10-14,16-17,28H,7,9,15H2,1-3H3,(H,33,34)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-independant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50508824 (CHEMBL4558632) Show SMILES COc1cccc(c1)-c1nc(-c2ccccc2)c(C(OC(C)(C)C)C(O)=O)c2ccccc12 Show InChI InChI=1S/C28H27NO4/c1-28(2,3)33-26(27(30)31)23-21-15-8-9-16-22(21)24(19-13-10-14-20(17-19)32-4)29-25(23)18-11-6-5-7-12-18/h5-17,26H,1-4H3,(H,30,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-independant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50508823 (CHEMBL4544303) Show SMILES CC(C)(C)OC(C(O)=O)c1c(nc(-c2cnn(Cc3ccccc3)c2)c2ccccc12)-c1ccc2OCCCc2c1 Show InChI InChI=1S/C34H33N3O4/c1-34(2,3)41-32(33(38)39)29-26-13-7-8-14-27(26)30(25-19-35-37(21-25)20-22-10-5-4-6-11-22)36-31(29)24-15-16-28-23(18-24)12-9-17-40-28/h4-8,10-11,13-16,18-19,21,32H,9,12,17,20H2,1-3H3,(H,38,39)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-dependant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribonuclease H1 (Homo sapiens (Human))	BDBM33963 (vinylogous urea, NSC727448) Show SMILES Cc1sc(NC(=O)c2ccco2)c(C(N)=O)c1C Show InChI InChI=1S/C12H12N2O3S/c1-6-7(2)18-12(9(6)10(13)15)14-11(16)8-4-3-5-17-8/h3-5H,1-2H3,(H2,13,15)(H,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	8.0	20
National Cancer Institute					Assay Description RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...				ACS Chem Biol 3: 635-44 (2008) Article DOI: 10.1021/cb8001039 BindingDB Entry DOI: 10.7270/Q29P300F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50508823 (CHEMBL4544303) Show SMILES CC(C)(C)OC(C(O)=O)c1c(nc(-c2cnn(Cc3ccccc3)c2)c2ccccc12)-c1ccc2OCCCc2c1 Show InChI InChI=1S/C34H33N3O4/c1-34(2,3)41-32(33(38)39)29-26-13-7-8-14-27(26)30(25-19-35-37(21-25)20-22-10-5-4-6-11-22)36-31(29)24-15-16-28-23(18-24)12-9-17-40-28/h4-8,10-11,13-16,18-19,21,32H,9,12,17,20H2,1-3H3,(H,38,39)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75 binding to HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribonuclease HI (Escherichia coli (strain K12))	BDBM33963 (vinylogous urea, NSC727448) Show SMILES Cc1sc(NC(=O)c2ccco2)c(C(N)=O)c1C Show InChI InChI=1S/C12H12N2O3S/c1-6-7(2)18-12(9(6)10(13)15)14-11(16)8-4-3-5-17-8/h3-5H,1-2H3,(H2,13,15)(H,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	8.0	20
National Cancer Institute					Assay Description RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...				ACS Chem Biol 3: 635-44 (2008) Article DOI: 10.1021/cb8001039 BindingDB Entry DOI: 10.7270/Q29P300F
					More data for this Ligand-Target Pair
Ribonuclease HI (Escherichia coli (strain K12))	BDBM33045 (2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophe...) Show SMILES NC(=O)c1c(N)sc2CCCCCc12 Show InChI InChI=1S/C10H14N2OS/c11-9(13)8-6-4-2-1-3-5-7(6)14-10(8)12/h1-5,12H2,(H2,11,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	8.0	20
National Cancer Institute					Assay Description RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...				ACS Chem Biol 3: 635-44 (2008) Article DOI: 10.1021/cb8001039 BindingDB Entry DOI: 10.7270/Q29P300F
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [A1275T] (Human immunodeficiency virus 1 (Virus))	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(O)=O Show InChI InChI=1S/C22H21BrClNO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-8-15(24)9-6-13)16-11-14(23)7-10-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University					Assay Description A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ...				J Biol Chem 288: 15813-20 (2013) Article DOI: 10.1074/jbc.M112.443390 BindingDB Entry DOI: 10.7270/Q23R0RP6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [A1275T] (Human immunodeficiency virus 1 (Virus))	BDBM50011132 (ALLINI-1 | CHEMBL3259891) Show SMILES COC(C(O)=O)c1c(C)nc2ccc(Br)cc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H15BrClNO3/c1-10-16(18(25-2)19(23)24)17(11-3-6-13(21)7-4-11)14-9-12(20)5-8-15(14)22-10/h3-9,18H,1-2H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.62E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University					Assay Description A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ...				J Biol Chem 288: 15813-20 (2013) Article DOI: 10.1074/jbc.M112.443390 BindingDB Entry DOI: 10.7270/Q23R0RP6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(O)=O Show InChI InChI=1S/C22H21BrClNO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-8-15(24)9-6-13)16-11-14(23)7-10-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	146	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Induction of HIV1 His/FLAG-tagged integrase hyper-multimerization expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM50508823 (CHEMBL4544303) Show SMILES CC(C)(C)OC(C(O)=O)c1c(nc(-c2cnn(Cc3ccccc3)c2)c2ccccc12)-c1ccc2OCCCc2c1 Show InChI InChI=1S/C34H33N3O4/c1-34(2,3)41-32(33(38)39)29-26-13-7-8-14-27(26)30(25-19-35-37(21-25)20-22-10-5-4-6-11-22)36-31(29)24-15-16-28-23(18-24)12-9-17-40-28/h4-8,10-11,13-16,18-19,21,32H,9,12,17,20H2,1-3H3,(H,38,39)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	<1.79E+3	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Induction of HIV1 His/FLAG-tagged integrase hyper-multimerization expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633 BindingDB Entry DOI: 10.7270/Q24171C6
					More data for this Ligand-Target Pair				3D Structure (crystal)