BindingDB PrimarySearch

BDBM247859 US10112931, Example 466::US9434719, 466::US9688672, Example 466

SMILES: C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)n1

InChI Key: InChIKey=DCGDPJCUIKLTDU-SUNYJGFJSA-N

Data: 17 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 247859
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM247859 (US10112931, Example 466 \| US9434719, 466 \| US96886...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	25.5	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 US9434719 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KFR
NOVARTIS AG US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM247859 (US10112931, Example 466 \| US9434719, 466 \| US96886...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His8-tagged IDH1 R132C mutant expressed in Escherichia coli BL21 assessed as reduction in NADPH consumptio...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111694
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human))	BDBM247859 (US10112931, Example 466 \| US9434719, 466 \| US96886...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	26	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
NOVARTIS AG US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human))	BDBM247859 (US10112931, Example 466 \| US9434719, 466 \| US96886...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	24	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
NOVARTIS AG US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human))	BDBM247859 (US10112931, Example 466 \| US9434719, 466 \| US96886...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	11	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
NOVARTIS AG US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM247859 (US10112931, Example 466 \| US9434719, 466 \| US96886...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as NADPH consumption using alpha-ketoglutarate as substrate by fluorescence assay				ACS Med Chem Lett 8: 1105-1109 (2017) Article DOI: 10.1021/acsmedchemlett.7b00342 BindingDB Entry DOI: 10.7270/Q2K93B25
Saint Petersburg State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM247859 (US10112931, Example 466 \| US9434719, 466 \| US96886...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate as substrate by LC-MS/MS analysis				ACS Med Chem Lett 8: 1105-1109 (2017) Article DOI: 10.1021/acsmedchemlett.7b00342 BindingDB Entry DOI: 10.7270/Q2K93B25
Saint Petersburg State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM247859 (US10112931, Example 466 \| US9434719, 466 \| US96886...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant (unknown origin) assessed as NADPH consumption using alpha-ketoglutarate as substrate by fluorescence assay				ACS Med Chem Lett 8: 1105-1109 (2017) Article DOI: 10.1021/acsmedchemlett.7b00342 BindingDB Entry DOI: 10.7270/Q2K93B25
Saint Petersburg State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM247859 (US10112931, Example 466 \| US9434719, 466 \| US96886...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of wild-type IDH1 (unknown origin) assessed as NADPH production using isocitrate as substrate by fluorescence assay				ACS Med Chem Lett 8: 1105-1109 (2017) Article DOI: 10.1021/acsmedchemlett.7b00342 BindingDB Entry DOI: 10.7270/Q2K93B25
Saint Petersburg State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase 2 (IDH2) (Homo sapiens (Human))	BDBM247859 (US10112931, Example 466 \| US9434719, 466 \| US96886...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) expressed in human HCT116 cells assessed as reduction in 2-HG level				ACS Med Chem Lett 8: 1105-1109 (2017) Article DOI: 10.1021/acsmedchemlett.7b00342 BindingDB Entry DOI: 10.7270/Q2K93B25
Saint Petersburg State University Curated by ChEMBL					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM247859 (US10112931, Example 466 \| US9434719, 466 \| US96886...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG level after 48 hrs by LC-MS/MS analysis				ACS Med Chem Lett 8: 1105-1109 (2017) Article DOI: 10.1021/acsmedchemlett.7b00342 BindingDB Entry DOI: 10.7270/Q2K93B25
Saint Petersburg State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM247859 (US10112931, Example 466 \| US9434719, 466 \| US96886...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Effect on human Glucocorticoid receptor (GR) in a whole cell assay to measure functional cellular GR-antagonism (GRAF)				ACS Med Chem Lett 8: 1105-1109 (2017) Article DOI: 10.1021/acsmedchemlett.7b00342 BindingDB Entry DOI: 10.7270/Q2K93B25
Saint Petersburg State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase 2 (IDH2) (Homo sapiens (Human))	BDBM247859 (US10112931, Example 466 \| US9434719, 466 \| US96886...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) expressed in human HCT116 cells assessed as reduction in 2-HG level				ACS Med Chem Lett 8: 1105-1109 (2017) Article DOI: 10.1021/acsmedchemlett.7b00342 BindingDB Entry DOI: 10.7270/Q2K93B25
Saint Petersburg State University Curated by ChEMBL					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM247859 (US10112931, Example 466 \| US9434719, 466 \| US96886...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-HG production incubated with compound for 48 hrs by D2HG assay kit b...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111694
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM247859 (US10112931, Example 466 \| US9434719, 466 \| US96886...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His8-tagged IDH1 R132H mutant expressed in Escherichia coli BL21 assessed as reduction in NADPH consumptio...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111694
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM247859 (US10112931, Example 466 \| US9434719, 466 \| US96886...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human C-terminal His8-tagged IDH1 expressed in Escherichia coli BL21 assessed as reduction in NADP consumption us...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111694
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM247859 (US10112931, Example 466 \| US9434719, 466 \| US96886...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	11	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
NOVARTIS AG US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)