BDBM146316 US8957068, 425::US8957068, 426

SMILES: CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Cl)cc2)n1

InChI Key: InChIKey=PEEWKHRIJDGILX-WPZCJLIBSA-N

Data: 4 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 4 hits for monomerid = 146316   

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))	BDBM146316 (US8957068, 425 | US8957068, 426) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Cl)cc2)n1 |r,w:15.16| Show InChI InChI=1S/C20H21ClN6O3/c1-11(2)15-10-29-20(28)27(15)16-8-9-22-19(24-16)23-12(3)18-25-17(26-30-18)13-4-6-14(21)7-5-13/h4-9,11-12,15H,10H2,1-3H3,(H,22,23,24)/t12?,15-/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	909	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))	BDBM146316 (US8957068, 425 | US8957068, 426) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Cl)cc2)n1 |r,w:15.16| Show InChI InChI=1S/C20H21ClN6O3/c1-11(2)15-10-29-20(28)27(15)16-8-9-22-19(24-16)23-12(3)18-25-17(26-30-18)13-4-6-14(21)7-5-13/h4-9,11-12,15H,10H2,1-3H3,(H,22,23,24)/t12?,15-/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	38.5	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))	BDBM146316 (US8957068, 425 | US8957068, 426) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Cl)cc2)n1 |r,w:15.16| Show InChI InChI=1S/C20H21ClN6O3/c1-11(2)15-10-29-20(28)27(15)16-8-9-22-19(24-16)23-12(3)18-25-17(26-30-18)13-4-6-14(21)7-5-13/h4-9,11-12,15H,10H2,1-3H3,(H,22,23,24)/t12?,15-/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	2.45E+3	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))	BDBM146316 (US8957068, 425 | US8957068, 426) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Cl)cc2)n1 |r,w:15.16| Show InChI InChI=1S/C20H21ClN6O3/c1-11(2)15-10-29-20(28)27(15)16-8-9-22-19(24-16)23-12(3)18-25-17(26-30-18)13-4-6-14(21)7-5-13/h4-9,11-12,15H,10H2,1-3H3,(H,22,23,24)/t12?,15-/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	30	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