BDBM146151 US8957068, 201::US8957068, 202

SMILES: COc1ccc(cc1)-n1cc(cn1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C

InChI Key: InChIKey=LSXSGJKNEVEKER-XCWJXAQQSA-N

Data: 3 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 3 hits for monomerid = 146151   

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))	BDBM146151 (US8957068, 201 | US8957068, 202) Show SMILES COc1ccc(cc1)-n1cc(cn1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r,w:13.15| Show InChI InChI=1S/C22H26N6O3/c1-14(2)19-13-31-22(29)28(19)20-9-10-23-21(26-20)25-15(3)16-11-24-27(12-16)17-5-7-18(30-4)8-6-17/h5-12,14-15,19H,13H2,1-4H3,(H,23,25,26)/t15?,19-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	927	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
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM146151 (US8957068, 201 | US8957068, 202) Show SMILES COc1ccc(cc1)-n1cc(cn1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r,w:13.15| Show InChI InChI=1S/C22H26N6O3/c1-14(2)19-13-31-22(29)28(19)20-9-10-23-21(26-20)25-15(3)16-11-24-27(12-16)17-5-7-18(30-4)8-6-17/h5-12,14-15,19H,13H2,1-4H3,(H,23,25,26)/t15?,19-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	54.1	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))	BDBM146151 (US8957068, 201 | US8957068, 202) Show SMILES COc1ccc(cc1)-n1cc(cn1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r,w:13.15| Show InChI InChI=1S/C22H26N6O3/c1-14(2)19-13-31-22(29)28(19)20-9-10-23-21(26-20)25-15(3)16-11-24-27(12-16)17-5-7-18(30-4)8-6-17/h5-12,14-15,19H,13H2,1-4H3,(H,23,25,26)/t15?,19-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	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