BDBM50029486 CHEMBL3343460

SMILES: Cc1cc(Cc2cccc3cc(O)ccc23)n(O)c(=O)c1

InChI Key: InChIKey=TZRYCJMJXKSOPB-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50029486   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50029486 (CHEMBL3343460) Show SMILES Cc1cc(Cc2cccc3cc(O)ccc23)n(O)c(=O)c1 Show InChI InChI=1S/C17H15NO3/c1-11-7-14(18(21)17(20)8-11)9-12-3-2-4-13-10-15(19)5-6-16(12)13/h2-8,10,19,21H,9H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption				J Med Chem 57: 8307-18 (2014) Article DOI: 10.1021/jm500660f BindingDB Entry DOI: 10.7270/Q23J3FJR
					More data for this Ligand-Target Pair