BDBM146200 US8957068, 252

SMILES: C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=SUBXZMWHSNZXNJ-INIZCTEOSA-N

Data: 2 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 2 hits for monomerid = 146200   

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))	BDBM146200 (US8957068, 252) Show SMILES C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H24N4O3/c1-16(17-9-11-19(12-10-17)30-18-7-5-4-6-8-18)25-21-24-14-13-20(26-21)27-22(28)29-15-23(27,2)3/h4-14,16H,15H2,1-3H3,(H,24,25,26)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60.8	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide ph...				US Patent US8957068 (2015) BindingDB Entry DOI: 10.7270/Q2TD9W28
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM146200 (US8957068, 252) Show SMILES C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H24N4O3/c1-16(17-9-11-19(12-10-17)30-18-7-5-4-6-8-18)25-21-24-14-13-20(26-21)27-22(28)29-15-23(27,2)3/h4-14,16H,15H2,1-3H3,(H,24,25,26)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Mutant IDH1 R132H catalytic activity was monitored using the quantitative liquid chromatography/mass spectrometry (LC-MS) detection of 2-HG, a produc...				US Patent US8957068 (2015) BindingDB Entry DOI: 10.7270/Q2TD9W28
					More data for this Ligand-Target Pair