BDBM50458782 CHEMBL4216510

SMILES: CC[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)ncc1F

InChI Key: InChIKey=PTEMFRWPKVIHPU-JSGCOSHPSA-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 = 50458782   

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))	BDBM50458782 (CHEMBL4216510) Show SMILES CC[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)ncc1F |r| Show InChI InChI=1S/C20H20ClFN6O2/c1-3-14-10-30-20(29)28(14)18-16(22)8-23-19(26-18)25-12(2)17-9-27(11-24-17)15-6-4-13(21)5-7-15/h4-9,11-12,14H,3,10H2,1-2H3,(H,23,25,26)/t12-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) expressed in HCT116 cells assessed as reduction in 2-HG levels after 48 hrs by LC-MS/MS analysis				ACS Med Chem Lett 9: 746-751 (2018) Article DOI: 10.1021/acsmedchemlett.8b00182 BindingDB Entry DOI: 10.7270/Q2SB48CZ
					More data for this Ligand-Target Pair