Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B1' and Ligand = 'BDBM50237630'   

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 (Rattus norvegicus)	BDBM50237630 (CHEMBL4086221) Show SMILES COc1ccc(cc1)C(=O)c1cc(C(=O)C(F)(F)F)n(c1)-c1cnn(O)c1 Show InChI InChI=1S/C17H12F3N3O4/c1-27-13-4-2-10(3-5-13)15(24)11-6-14(16(25)17(18,19)20)22(8-11)12-7-21-23(26)9-12/h2-9,26H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Concentration required to inhibit binding of [125I]-NDP-alpha-MSH from membranes prepared from CHO cells expressing human melanocortin subtype-4-rece...				Eur J Med Chem 130: 328-335 (2017) Article DOI: 10.1016/j.ejmech.2017.02.053 BindingDB Entry DOI: 10.7270/Q2PR7Z7S
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