Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 3427   

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
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM33410 (CHEMBL16755 | N-hydroxyisoquinolinedione, 2) Show SMILES ON1C(=O)Cc2ccccc2C1=O Show InChI InChI=1S/C9H7NO3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-4,13H,5H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	8.0	20
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM33419 (pyrimidinol carboxylic acid, 11) Show SMILES OC(=O)c1nc(Cc2c(Br)sc3ccc(Cl)cc23)[nH]c(=O)c1O Show InChI InChI=1S/C14H8BrClN2O4S/c15-12-7(6-3-5(16)1-2-8(6)23-12)4-9-17-10(14(21)22)11(19)13(20)18-9/h1-3,19H,4H2,(H,21,22)(H,17,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	8.0	20
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM33411 (β-Thujaplicinol | hydroxytropolone, 3) Show SMILES CC(C)c1ccc(O)c(=O)c(O)c1 Show InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	8.0	20
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM33418 (pyrimidinol carboxylic acid, 10) Show SMILES COc1ccc(Cc2nc(C(O)=O)c(O)c(=O)[nH]2)cc1Br Show InChI InChI=1S/C13H11BrN2O5/c1-21-8-3-2-6(4-7(8)14)5-9-15-10(13(19)20)11(17)12(18)16-9/h2-4,17H,5H2,1H3,(H,19,20)(H,15,16,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	8.0	20
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM33417 (pyrimidinol carboxylic acid, 9) Show SMILES OC(=O)c1nc(Cc2ccc(Cl)c(Cl)c2)[nH]c(=O)c1O Show InChI InChI=1S/C12H8Cl2N2O4/c13-6-2-1-5(3-7(6)14)4-8-15-9(12(19)20)10(17)11(18)16-8/h1-3,17H,4H2,(H,19,20)(H,15,16,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	8.0	20
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM33415 (CHEMBL204900 | pyrimidinol carboxylic acid, 7) Show SMILES OC(=O)c1nc(Cc2ccccc2)[nH]c(=O)c1O Show InChI InChI=1S/C12H10N2O4/c15-10-9(12(17)18)13-8(14-11(10)16)6-7-4-2-1-3-5-7/h1-5,15H,6H2,(H,17,18)(H,13,14,16)	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	8.0	20
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM33412 (CHEMBL183852 | N-hydroxy quinazolinedione, 4 | US1...) Show SMILES On1c(=O)[nH]c2ccccc2c1=O Show InChI InChI=1S/C8H6N2O3/c11-7-5-3-1-2-4-6(5)9-8(12)10(7)13/h1-4,13H,(H,9,12)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	8.0	20
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM33409 (alpha, gamma-diketo acid, 1) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(NC(=O)c2ccccc2)s1 Show InChI InChI=1S/C15H11NO5S/c17-10(8-11(18)15(20)21)12-6-7-13(22-12)16-14(19)9-4-2-1-3-5-9/h1-7H,8H2,(H,16,19)(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.85E+3	n/a	n/a	n/a	n/a	8.0	20
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM33416 (pyrimidinol carboxylic acid, 8) Show SMILES OC(=O)c1nc(CCc2ccccc2)[nH]c(=O)c1O Show InChI InChI=1S/C13H12N2O4/c16-11-10(13(18)19)14-9(15-12(11)17)7-6-8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H,18,19)(H,14,15,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	8.0	20
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM33414 (CHEMBL440562 | pyrimidinol carboxylic acid, 6) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccccc1 Show InChI InChI=1S/C11H8N2O4/c14-8-7(11(16)17)12-9(13-10(8)15)6-4-2-1-3-5-6/h1-5,14H,(H,16,17)(H,12,13,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	8.0	20
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM33413 (benzo[7]annulene-8-carboxylic acid, 5) Show SMILES OC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1 Show InChI InChI=1S/C12H8O6/c13-7-2-1-5-3-6(12(17)18)4-8(14)11(16)9(5)10(7)15/h1-4,13,15H,(H,14,16)(H,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.32E+4	n/a	n/a	n/a	n/a	8.0	20
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair
Ribonuclease H1 (Homo sapiens (Human))	BDBM33419 (pyrimidinol carboxylic acid, 11) Show SMILES OC(=O)c1nc(Cc2c(Br)sc3ccc(Cl)cc23)[nH]c(=O)c1O Show InChI InChI=1S/C14H8BrClN2O4S/c15-12-7(6-3-5(16)1-2-8(6)23-12)4-9-17-10(14(21)22)11(19)13(20)18-9/h1-3,19H,4H2,(H,21,22)(H,17,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.85E+4	n/a	n/a	n/a	n/a	8.0	20
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM33420 (pyrimidinol carboxylic acid, 12) Show SMILES COC(=O)c1nc(Cc2ccccc2)[nH]c(=O)c1O Show InChI InChI=1S/C13H12N2O4/c1-19-13(18)10-11(16)12(17)15-9(14-10)7-8-5-3-2-4-6-8/h2-6,16H,7H2,1H3,(H,14,15,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+4	n/a	n/a	n/a	n/a	8.0	20
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair
Ribonuclease H1 (Homo sapiens (Human))	BDBM33418 (pyrimidinol carboxylic acid, 10) Show SMILES COc1ccc(Cc2nc(C(O)=O)c(O)c(=O)[nH]2)cc1Br Show InChI InChI=1S/C13H11BrN2O5/c1-21-8-3-2-6(4-7(8)14)5-9-15-10(13(19)20)11(17)12(18)16-9/h2-4,17H,5H2,1H3,(H,19,20)(H,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	8.0	20
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair
Ribonuclease H1 (Homo sapiens (Human))	BDBM33415 (CHEMBL204900 | pyrimidinol carboxylic acid, 7) Show SMILES OC(=O)c1nc(Cc2ccccc2)[nH]c(=O)c1O Show InChI InChI=1S/C12H10N2O4/c15-10-9(12(17)18)13-8(14-11(10)16)6-7-4-2-1-3-5-7/h1-5,15H,6H2,(H,17,18)(H,13,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	20
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair
Ribonuclease H1 (Homo sapiens (Human))	BDBM33416 (pyrimidinol carboxylic acid, 8) Show SMILES OC(=O)c1nc(CCc2ccccc2)[nH]c(=O)c1O Show InChI InChI=1S/C13H12N2O4/c16-11-10(13(18)19)14-9(15-12(11)17)7-6-8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H,18,19)(H,14,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair
Ribonuclease H1 (Homo sapiens (Human))	BDBM33417 (pyrimidinol carboxylic acid, 9) Show SMILES OC(=O)c1nc(Cc2ccc(Cl)c(Cl)c2)[nH]c(=O)c1O Show InChI InChI=1S/C12H8Cl2N2O4/c13-6-2-1-5(3-7(6)14)4-8-15-9(12(19)20)10(17)11(18)16-8/h1-3,17H,4H2,(H,19,20)(H,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	20
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair
Ribonuclease H1 (Homo sapiens (Human))	BDBM33414 (CHEMBL440562 | pyrimidinol carboxylic acid, 6) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccccc1 Show InChI InChI=1S/C11H8N2O4/c14-8-7(11(16)17)12-9(13-10(8)15)6-4-2-1-3-5-6/h1-5,14H,(H,16,17)(H,12,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Gilead Sciences Inc.					Assay Description Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...				J Med Chem 52: 5781-4 (2009) Article DOI: 10.1021/jm900597q BindingDB Entry DOI: 10.7270/Q2TM78F2
					More data for this Ligand-Target Pair