BDBM146396 US8957068, 524

SMILES: CCOC1(CC1)c1ccc(cc1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C

InChI Key: InChIKey=AILGYZAYHCUUOO-QFBILLFUSA-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 = 146396   

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))	BDBM146396 (US8957068, 524) Show SMILES CCOC1(CC1)c1ccc(cc1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r| Show InChI InChI=1S/C23H30N4O3/c1-5-30-23(11-12-23)18-8-6-17(7-9-18)16(4)25-21-24-13-10-20(26-21)27-19(15(2)3)14-29-22(27)28/h6-10,13,15-16,19H,5,11-12,14H2,1-4H3,(H,24,25,26)/t16-,19+/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	21.1	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))	BDBM146396 (US8957068, 524) Show SMILES CCOC1(CC1)c1ccc(cc1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r| Show InChI InChI=1S/C23H30N4O3/c1-5-30-23(11-12-23)18-8-6-17(7-9-18)16(4)25-21-24-13-10-20(26-21)27-19(15(2)3)14-29-22(27)28/h6-10,13,15-16,19H,5,11-12,14H2,1-4H3,(H,24,25,26)/t16-,19+/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	26	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