BDBM50400271 CHEMBL2180728

SMILES: Cc1nc2ccccc2n1CC(=O)N(C(C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1

InChI Key: InChIKey=QGBXSUVTQOBSQO-UHFFFAOYSA-N

Data: 1 IC50

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 = 50400271   

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))	BDBM50400271 (CHEMBL2180728) Show SMILES Cc1nc2ccccc2n1CC(=O)N(C(C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1 Show InChI InChI=1S/C31H33FN4O2/c1-21-11-6-7-16-26(21)30(31(38)34-24-13-4-3-5-14-24)36(25-15-10-12-23(32)19-25)29(37)20-35-22(2)33-27-17-8-9-18-28(27)35/h6-12,15-19,24,30H,3-5,13-14,20H2,1-2H3,(H,34,38)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of wild type IDH1 using DL-isocitrate as substrate by resazurin-based fluorimetric analysis				ACS Med Chem Lett 3: 850-855 (2012) Article DOI: 10.1021/ml300225h BindingDB Entry DOI: 10.7270/Q2X92CF7
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