Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50045688   

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 (Human immunodeficiency virus 1)	BDBM50075207 (CHEMBL3414871) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1 Show InChI InChI=1S/C22H18N2O5S/c23-30(28,29)19-8-6-17(7-9-19)16-4-1-14(2-5-16)11-15-3-10-20-18(12-15)13-21(25)24(27)22(20)26/h1-10,12,27H,11,13H2,(H2,23,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Moloney murine leukemia virus reverse transcriptase polymerase activity using Td100/Pd18 DNA-DNA substrate incubated for 30 mins by flu...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50075214 (CHEMBL3414876) Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3cc[nH+]cc3)ccc2C1=O Show InChI InChI=1S/C21H16N2O3/c24-20-13-18-12-15(3-6-19(18)21(25)23(20)26)11-14-1-4-16(5-2-14)17-7-9-22-10-8-17/h1-10,12,26H,11,13H2/p+1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Moloney murine leukemia virus reverse transcriptase polymerase activity using Td100/Pd18 DNA-DNA substrate incubated for 30 mins by flu...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50075213 (CHEMBL3414864) Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)C3CC3)ccc2C1=O Show InChI InChI=1S/C19H17NO3/c21-18-11-16-10-13(3-8-17(16)19(22)20(18)23)9-12-1-4-14(5-2-12)15-6-7-15/h1-5,8,10,15,23H,6-7,9,11H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Moloney murine leukemia virus reverse transcriptase polymerase activity using Td100/Pd18 DNA-DNA substrate incubated for 30 mins by flu...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50075211 (CHEMBL3414857) Show SMILES ON1C(=O)Cc2cc(Cc3ccccc3)ccc2C1=O Show InChI InChI=1S/C16H13NO3/c18-15-10-13-9-12(8-11-4-2-1-3-5-11)6-7-14(13)16(19)17(15)20/h1-7,9,20H,8,10H2	PDB MMDB UniProtKB/TrEMBL B.MOAD 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
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Moloney murine leukemia virus reverse transcriptase polymerase activity using Td100/Pd18 DNA-DNA substrate incubated for 30 mins by flu...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50075206 (CHEMBL3414870) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1 Show InChI InChI=1S/C23H19NO5S/c1-30(28,29)20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Moloney murine leukemia virus reverse transcriptase polymerase activity using Td100/Pd18 DNA-DNA substrate incubated for 30 mins by flu...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50075212 (CHEMBL3414862) Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)C(F)(F)F)ccc2C1=O Show InChI InChI=1S/C17H12F3NO3/c18-17(19,20)13-4-1-10(2-5-13)7-11-3-6-14-12(8-11)9-15(22)21(24)16(14)23/h1-6,8,24H,7,9H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Moloney murine leukemia virus reverse transcriptase polymerase activity using Td100/Pd18 DNA-DNA substrate incubated for 30 mins by flu...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50075208 (CHEMBL3414860) Show SMILES ON1C(=O)Cc2cc(Cc3ccc(Cl)cc3)ccc2C1=O Show InChI InChI=1S/C16H12ClNO3/c17-13-4-1-10(2-5-13)7-11-3-6-14-12(8-11)9-15(19)18(21)16(14)20/h1-6,8,21H,7,9H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Moloney murine leukemia virus reverse transcriptase polymerase activity using Td100/Pd18 DNA-DNA substrate incubated for 30 mins by flu...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50075204 (CHEMBL3414868) Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(cc3)C#N)ccc2C1=O Show InChI InChI=1S/C23H16N2O3/c24-14-16-3-8-19(9-4-16)18-6-1-15(2-7-18)11-17-5-10-21-20(12-17)13-22(26)25(28)23(21)27/h1-10,12,28H,11,13H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Moloney murine leukemia virus reverse transcriptase polymerase activity using Td100/Pd18 DNA-DNA substrate incubated for 30 mins by flu...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50075205 (CHEMBL3414869) Show SMILES COc1ccc(cc1)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1 Show InChI InChI=1S/C23H19NO4/c1-28-20-9-7-18(8-10-20)17-5-2-15(3-6-17)12-16-4-11-21-19(13-16)14-22(25)24(27)23(21)26/h2-11,13,27H,12,14H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Moloney murine leukemia virus reverse transcriptase polymerase activity using Td100/Pd18 DNA-DNA substrate incubated for 30 mins by flu...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50075210 (CHEMBL3414867) Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccc(F)cc3)ccc2C1=O Show InChI InChI=1S/C22H16FNO3/c23-19-8-6-17(7-9-19)16-4-1-14(2-5-16)11-15-3-10-20-18(12-15)13-21(25)24(27)22(20)26/h1-10,12,27H,11,13H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Moloney murine leukemia virus reverse transcriptase polymerase activity using Td100/Pd18 DNA-DNA substrate incubated for 30 mins by flu...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50075209 (CHEMBL3414865) Show SMILES ON1C(=O)Cc2cc(Cc3ccc(cc3)-c3ccccc3)ccc2C1=O Show InChI InChI=1S/C22H17NO3/c24-21-14-19-13-16(8-11-20(19)22(25)23(21)26)12-15-6-9-18(10-7-15)17-4-2-1-3-5-17/h1-11,13,26H,12,14H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Moloney murine leukemia virus reverse transcriptase polymerase activity using Td100/Pd18 DNA-DNA substrate incubated for 30 mins by flu...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
					More data for this Ligand-Target Pair