Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B1' and Ligand = 'BDBM50006490'   

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))	BDBM50006490 ((+)-(7-Chloro-6-fluoro-4-hydroxy-2-methyl-chroman-...) Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)c(Cl)cc2O1 Show InChI InChI=1S/C12H12ClFO4/c1-6-4-12(17,5-11(15)16)7-2-9(14)8(13)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Compound was tested in vitro for its inhibitory activity against human placental aldose reductase				J Med Chem 35: 2169-77 (1992) BindingDB Entry DOI: 10.7270/Q2833SN9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50006490 ((+)-(7-Chloro-6-fluoro-4-hydroxy-2-methyl-chroman-...) Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)c(Cl)cc2O1 Show InChI InChI=1S/C12H12ClFO4/c1-6-4-12(17,5-11(15)16)7-2-9(14)8(13)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Compound was tested in vitro for its inhibitory activity against human placental aldose reductase				J Med Chem 35: 2169-77 (1992) BindingDB Entry DOI: 10.7270/Q2833SN9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50006490 ((+)-(7-Chloro-6-fluoro-4-hydroxy-2-methyl-chroman-...) Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)c(Cl)cc2O1 Show InChI InChI=1S/C12H12ClFO4/c1-6-4-12(17,5-11(15)16)7-2-9(14)8(13)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description ARI(aldose reductase inhibitor) enantiospecificity against human placental aldose reductase.				J Med Chem 35: 2169-77 (1992) BindingDB Entry DOI: 10.7270/Q2833SN9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50006490 ((+)-(7-Chloro-6-fluoro-4-hydroxy-2-methyl-chroman-...) Show SMILES C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)c(Cl)cc2O1 Show InChI InChI=1S/C12H12ClFO4/c1-6-4-12(17,5-11(15)16)7-2-9(14)8(13)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description ARI(aldose reductase inhibitor) enantiospecificity against human placental aldose reductase.				J Med Chem 35: 2169-77 (1992) BindingDB Entry DOI: 10.7270/Q2833SN9
					More data for this Ligand-Target Pair