BDBM247525 US10112931, Example 63::US9434719, 63::US9688672, Example 63

SMILES: C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(c2)C(C)(C)C)n1

InChI Key: InChIKey=ALPDIKWODPVZHR-RZQQEMMASA-N

Data: 5 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 5 hits for monomerid = 247525   

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))	BDBM247525 (US10112931, Example 63 | US9434719, 63 | US9688672...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(c2)C(C)(C)C)n1 |r| Show InChI InChI=1S/C25H30N6O3/c1-15(19-7-6-18(13-28-19)17-8-10-26-21(12-17)25(3,4)5)29-23-27-11-9-22(30-23)31-20(16(2)32)14-34-24(31)33/h6-13,15-16,20,32H,14H2,1-5H3,(H,27,29,30)/t15-,16+,20+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15.9	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 US9434719 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KFR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM247525 (US10112931, Example 63 | US9434719, 63 | US9688672...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(c2)C(C)(C)C)n1 |r| Show InChI InChI=1S/C25H30N6O3/c1-15(19-7-6-18(13-28-19)17-8-10-26-21(12-17)25(3,4)5)29-23-27-11-9-22(30-23)31-20(16(2)32)14-34-24(31)33/h6-13,15-16,20,32H,14H2,1-5H3,(H,27,29,30)/t15-,16+,20+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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
IDH1 R132H (Homo sapiens (Human))	BDBM247525 (US10112931, Example 63 | US9434719, 63 | US9688672...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(c2)C(C)(C)C)n1 |r| Show InChI InChI=1S/C25H30N6O3/c1-15(19-7-6-18(13-28-19)17-8-10-26-21(12-17)25(3,4)5)29-23-27-11-9-22(30-23)31-20(16(2)32)14-34-24(31)33/h6-13,15-16,20,32H,14H2,1-5H3,(H,27,29,30)/t15-,16+,20+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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
IDH1 R132H (Homo sapiens (Human))	BDBM247525 (US10112931, Example 63 | US9434719, 63 | US9688672...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(c2)C(C)(C)C)n1 |r| Show InChI InChI=1S/C25H30N6O3/c1-15(19-7-6-18(13-28-19)17-8-10-26-21(12-17)25(3,4)5)29-23-27-11-9-22(30-23)31-20(16(2)32)14-34-24(31)33/h6-13,15-16,20,32H,14H2,1-5H3,(H,27,29,30)/t15-,16+,20+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15.9	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 US10112931 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TRT
					More data for this Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human))	BDBM247525 (US10112931, Example 63 | US9434719, 63 | US9688672...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(c2)C(C)(C)C)n1 |r| Show InChI InChI=1S/C25H30N6O3/c1-15(19-7-6-18(13-28-19)17-8-10-26-21(12-17)25(3,4)5)29-23-27-11-9-22(30-23)31-20(16(2)32)14-34-24(31)33/h6-13,15-16,20,32H,14H2,1-5H3,(H,27,29,30)/t15-,16+,20+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	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 pho...				US Patent US9688672 (2017) BindingDB Entry DOI: 10.7270/Q2251GBM
					More data for this Ligand-Target Pair