BDBM363689 US10640534, Compound 176::US10682352, Compound AG120::US10717764, Compound 176::US9850277, Compound 176
SMILES: Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
InChI Key: InChIKey=WIJZXSAJMHAVGX-DHLKQENFSA-N
Data: 18 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
IDH1 R132C (Homo sapiens (Human)) | BDBM363689 (US10640534, Compound 176 | US10682352, Compound AG...) | PDB GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | <500 | n/a | n/a | n/a | n/a | n/a | n/a |
AGIOS PHARMACEUTICALS, INC. US Patent | Assay Description A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti... | US Patent US9850277 (2017) BindingDB Entry DOI: 10.7270/Q24170CS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132C (Homo sapiens (Human)) | BDBM363689 (US10640534, Compound 176 | US10682352, Compound AG...) | PDB GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Agios Pharmaceuticals, Inc. US Patent | US Patent US11021515 (2021) | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human)) | BDBM363689 (US10640534, Compound 176 | US10682352, Compound AG...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haihe Co., Ltd. Curated by ChEMBL | Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production | Bioorg Med Chem Lett 27: 5262-5266 (2017) Article DOI: 10.1016/j.bmcl.2017.10.029 BindingDB Entry DOI: 10.7270/Q2QJ7KVJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human)) | BDBM363689 (US10640534, Compound 176 | US10682352, Compound AG...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haihe Co., Ltd. Curated by ChEMBL | Assay Description Inhibition of IDH1 R132H mutant (unknown origin) | Bioorg Med Chem Lett 27: 5262-5266 (2017) Article DOI: 10.1016/j.bmcl.2017.10.029 BindingDB Entry DOI: 10.7270/Q2QJ7KVJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human)) | BDBM363689 (US10640534, Compound 176 | US10682352, Compound AG...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI HAIHE PHARMACEUTICAL CO., LTD.; SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES US Patent | Assay Description Measurements were performed in a reaction volume of 15 uL using 384-well assay plates. Kinase enzyme, inhibitor, ATP and 1 uM peptide substrate were ... | US Patent US10682352 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132H (Homo sapiens (Human)) | BDBM363689 (US10640534, Compound 176 | US10682352, Compound AG...) | PDB GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Agios Pharmaceuticals, Inc. US Patent | Assay Description A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti... | US Patent US10640534 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132C (Homo sapiens (Human)) | BDBM363689 (US10640534, Compound 176 | US10682352, Compound AG...) | PDB GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Agios Pharmaceuticals, Inc. US Patent | Assay Description A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti... | US Patent US10640534 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132C (Homo sapiens (Human)) | BDBM363689 (US10640534, Compound 176 | US10682352, Compound AG...) | PDB GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Agios Pharmaceuticals, Inc. US Patent | Assay Description A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti... | US Patent US10717764 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132H (Homo sapiens (Human)) | BDBM363689 (US10640534, Compound 176 | US10682352, Compound AG...) | PDB GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Agios Pharmaceuticals, Inc. US Patent | Assay Description A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti... | US Patent US10717764 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132H (Homo sapiens (Human)) | BDBM363689 (US10640534, Compound 176 | US10682352, Compound AG...) | PDB GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Agios Pharmaceuticals, Inc. US Patent | Assay Description A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti... | US Patent US10689414 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132C (Homo sapiens (Human)) | BDBM363689 (US10640534, Compound 176 | US10682352, Compound AG...) | PDB GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Agios Pharmaceuticals, Inc. US Patent | Assay Description A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti... | US Patent US10689414 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human)) | BDBM363689 (US10640534, Compound 176 | US10682352, Compound AG...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 25 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human)) | BDBM363689 (US10640534, Compound 176 | US10682352, Compound AG...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.5 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human)) | BDBM363689 (US10640534, Compound 176 | US10682352, Compound AG...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 23 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132H (Homo sapiens (Human)) | BDBM363689 (US10640534, Compound 176 | US10682352, Compound AG...) | PDB GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Agios Pharmaceuticals, Inc. US Patent | Assay Description A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti... | US Patent US11021515 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132C (Homo sapiens (Human)) | BDBM363689 (US10640534, Compound 176 | US10682352, Compound AG...) | PDB GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Agios Pharmaceuticals, Inc. US Patent | US Patent US11021515 (2021) | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132H (Homo sapiens (Human)) | BDBM363689 (US10640534, Compound 176 | US10682352, Compound AG...) | PDB GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Agios Pharmaceuticals, Inc. US Patent | Assay Description A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti... | US Patent US11021515 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132H (Homo sapiens (Human)) | BDBM363689 (US10640534, Compound 176 | US10682352, Compound AG...) | PDB GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | <500 | n/a | n/a | n/a | n/a | n/a | n/a |
AGIOS PHARMACEUTICALS, INC. US Patent | Assay Description A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti... | US Patent US9850277 (2017) BindingDB Entry DOI: 10.7270/Q24170CS | |||||||||||
More data for this Ligand-Target Pair |