Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B1' and Ligand = 'BDBM16448'   

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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16448 (6-[(2-phenylbenzene)sulfonyl]-2,3-dihydropyridazin...) Show SMILES O=c1ccc(n[nH]1)S(=O)(=O)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C16H12N2O3S/c19-15-10-11-16(18-17-15)22(20,21)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 46: 2283-6 (2003) Article DOI: 10.1021/jm034065z BindingDB Entry DOI: 10.7270/Q2NV9GGM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16448 (6-[(2-phenylbenzene)sulfonyl]-2,3-dihydropyridazin...) Show SMILES O=c1ccc(n[nH]1)S(=O)(=O)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C16H12N2O3S/c19-15-10-11-16(18-17-15)22(20,21)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair