BDBM247597 US10112931, Example 193::US9434719, 193

SMILES: C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2ncc(cn2)-c2ccc(Cl)c(Cl)c2)ncc1F

InChI Key: InChIKey=QGEKZNPRAWNBRC-NGSNMCDXSA-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 = 247597   

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))	BDBM247597 (US10112931, Example 193 | US9434719, 193) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2ncc(cn2)-c2ccc(Cl)c(Cl)c2)ncc1F |r,w:13.14| Show InChI InChI=1S/C21H19Cl2FN6O3/c1-10(18-25-6-13(7-26-18)12-3-4-14(22)15(23)5-12)28-20-27-8-16(24)19(29-20)30-17(11(2)31)9-33-21(30)32/h3-8,10-11,17,31H,9H2,1-2H3,(H,27,28,29)/t10?,11-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	358	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...				US Patent US9434719 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KFR
					More data for this Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human))	BDBM247597 (US10112931, Example 193 | US9434719, 193) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2ncc(cn2)-c2ccc(Cl)c(Cl)c2)ncc1F |r,w:13.14| Show InChI InChI=1S/C21H19Cl2FN6O3/c1-10(18-25-6-13(7-26-18)12-3-4-14(22)15(23)5-12)28-20-27-8-16(24)19(29-20)30-17(11(2)31)9-33-21(30)32/h3-8,10-11,17,31H,9H2,1-2H3,(H,27,28,29)/t10?,11-,17-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	358	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 US10112931 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TRT
					More data for this Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human))	BDBM247597 (US10112931, Example 193 | US9434719, 193) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2ncc(cn2)-c2ccc(Cl)c(Cl)c2)ncc1F |r,w:13.14| Show InChI InChI=1S/C21H19Cl2FN6O3/c1-10(18-25-6-13(7-26-18)12-3-4-14(22)15(23)5-12)28-20-27-8-16(24)19(29-20)30-17(11(2)31)9-33-21(30)32/h3-8,10-11,17,31H,9H2,1-2H3,(H,27,28,29)/t10?,11-,17-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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 US10112931 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TRT
					More data for this Ligand-Target Pair