Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonyl reductase [NADPH] 1' and Ligand = 'BDBM50543399'   

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
Carbonyl reductase [NADPH] 1 (Homo sapiens (Human))	BDBM50543399 (CHEMBL4648793) Show SMILES Cc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1 Show InChI InChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CBR1 (unknown origin)				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
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