Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50012649   

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)	BDBM50101397 (2-(2,6-Dichloro-phenyl)-3-(6-methyl-pyridin-2-yl)-...) Show SMILES Cc1cccc(n1)N1C(SCC1=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C15H12Cl2N2OS/c1-9-4-2-7-12(18-9)19-13(20)8-21-15(19)14-10(16)5-3-6-11(14)17/h2-7,15H,8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP				J Med Chem 45: 5410-3 (2002) BindingDB Entry DOI: 10.7270/Q2TT4Q9K
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50101407 (2-(2,6-Difluoro-phenyl)-3-(4-methyl-pyridin-2-yl)-...) Show SMILES Cc1ccnc(c1)N1C(SCC1=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N2OS/c1-9-5-6-18-12(7-9)19-13(20)8-21-15(19)14-10(16)3-2-4-11(14)17/h2-7,15H,8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP				J Med Chem 45: 5410-3 (2002) BindingDB Entry DOI: 10.7270/Q2TT4Q9K
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50121354 (2-(2-Fluoro-6-methyl-phenyl)-3-(6-methyl-pyridin-2...) Show SMILES Cc1cccc(n1)N1C(SCC1=O)c1c(C)cccc1F Show InChI InChI=1S/C16H15FN2OS/c1-10-5-3-7-12(17)15(10)16-19(14(20)9-21-16)13-8-4-6-11(2)18-13/h3-8,16H,9H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP				J Med Chem 45: 5410-3 (2002) BindingDB Entry DOI: 10.7270/Q2TT4Q9K
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50101404 (2-(2,6-Difluoro-phenyl)-3-(6-methyl-pyridin-2-yl)-...) Show SMILES Cc1cccc(n1)N1C(SCC1=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N2OS/c1-9-4-2-7-12(18-9)19-13(20)8-21-15(19)14-10(16)5-3-6-11(14)17/h2-7,15H,8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP				J Med Chem 45: 5410-3 (2002) BindingDB Entry DOI: 10.7270/Q2TT4Q9K
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50121350 (2-(2-Chloro-6-fluoro-phenyl)-3-(4-methyl-pyridin-2...) Show SMILES Cc1ccnc(c1)N1C(SCC1=O)c1c(F)cccc1Cl Show InChI InChI=1S/C15H12ClFN2OS/c1-9-5-6-18-12(7-9)19-13(20)8-21-15(19)14-10(16)3-2-4-11(14)17/h2-7,15H,8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP				J Med Chem 45: 5410-3 (2002) BindingDB Entry DOI: 10.7270/Q2TT4Q9K
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50121357 (2-(2,6-Difluoro-phenyl)-3-(4,6-dimethyl-pyridin-2-...) Show SMILES Cc1cc(C)nc(c1)N1C(SCC1=O)c1c(F)cccc1F Show InChI InChI=1S/C16H14F2N2OS/c1-9-6-10(2)19-13(7-9)20-14(21)8-22-16(20)15-11(17)4-3-5-12(15)18/h3-7,16H,8H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP				J Med Chem 45: 5410-3 (2002) BindingDB Entry DOI: 10.7270/Q2TT4Q9K
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50121347 (CHEMBL625 | THIABENDAZOLE) Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)	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	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP				J Med Chem 45: 5410-3 (2002) BindingDB Entry DOI: 10.7270/Q2TT4Q9K
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50121352 (2-(2-Chloro-6-methyl-phenyl)-3-(5-methyl-pyridin-2...) Show SMILES Cc1ccc(nc1)N1C(SCC1=O)c1c(C)cccc1Cl Show InChI InChI=1S/C16H15ClN2OS/c1-10-6-7-13(18-8-10)19-14(20)9-21-16(19)15-11(2)4-3-5-12(15)17/h3-8,16H,9H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP				J Med Chem 45: 5410-3 (2002) BindingDB Entry DOI: 10.7270/Q2TT4Q9K
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50121351 (3-(5-Bromo-pyridin-2-yl)-2-(2,6-dichloro-phenyl)-t...) Show SMILES Clc1cccc(Cl)c1C1SCC(=O)N1c1ccc(Br)cn1 Show InChI InChI=1S/C14H9BrCl2N2OS/c15-8-4-5-11(18-6-8)19-12(20)7-21-14(19)13-9(16)2-1-3-10(13)17/h1-6,14H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP				J Med Chem 45: 5410-3 (2002) BindingDB Entry DOI: 10.7270/Q2TT4Q9K
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50121356 (3-(5-Bromo-pyridin-2-yl)-2-(2,6-difluoro-phenyl)-t...) Show SMILES Fc1cccc(F)c1C1SCC(=O)N1c1ccc(Br)cn1 Show InChI InChI=1S/C14H9BrF2N2OS/c15-8-4-5-11(18-6-8)19-12(20)7-21-14(19)13-9(16)2-1-3-10(13)17/h1-6,14H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP				J Med Chem 45: 5410-3 (2002) BindingDB Entry DOI: 10.7270/Q2TT4Q9K
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50121353 (3-(5-Chloro-pyridin-2-yl)-2-(2,6-difluoro-phenyl)-...) Show SMILES Fc1cccc(F)c1C1SCC(=O)N1c1ccc(Cl)cn1 Show InChI InChI=1S/C14H9ClF2N2OS/c15-8-4-5-11(18-6-8)19-12(20)7-21-14(19)13-9(16)2-1-3-10(13)17/h1-6,14H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP				J Med Chem 45: 5410-3 (2002) BindingDB Entry DOI: 10.7270/Q2TT4Q9K
					More data for this Ligand-Target Pair