Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50033878'   

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)	BDBM50033878 (CHEMBL3358170) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccco1 Show InChI InChI=1S/C22H19ClN2O4S/c1-13-8-14(2)10-17(9-13)30(27,28)21-18-11-15(23)5-6-19(18)25-20(21)22(26)24-12-16-4-3-7-29-16/h3-11,25H,12H2,1-2H3,(H,24,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033878 (CHEMBL3358170) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccco1 Show InChI InChI=1S/C22H19ClN2O4S/c1-13-8-14(2)10-17(9-13)30(27,28)21-18-11-15(23)5-6-19(18)25-20(21)22(26)24-12-16-4-3-7-29-16/h3-11,25H,12H2,1-2H3,(H,24,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase K103N mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033878 (CHEMBL3358170) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccco1 Show InChI InChI=1S/C22H19ClN2O4S/c1-13-8-14(2)10-17(9-13)30(27,28)21-18-11-15(23)5-6-19(18)25-20(21)22(26)24-12-16-4-3-7-29-16/h3-11,25H,12H2,1-2H3,(H,24,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	234	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase Y181I mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair