null
SMILES: Fc1cncc(c1)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
InChI Key: InChIKey=WIJZXSAJMHAVGX-XADRRFQNSA-N
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 [R132C] (Homo sapiens (Human)) | BDBM363600![]() (US10640534, Compound 91 | US10689414, Compound 91 ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase 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 | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human)) | BDBM363600![]() (US10640534, Compound 91 | US10689414, Compound 91 ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase 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 | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human)) | BDBM363600![]() (US10640534, Compound 91 | US10689414, Compound 91 ...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of IDH1 R132H mutant (unknown origin) | Bioorg Med Chem 25: 6379-6387 (2017) Article DOI: 10.1016/j.bmc.2017.10.009 BindingDB Entry DOI: 10.7270/Q26M39CG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human)) | BDBM363600![]() (US10640534, Compound 91 | US10689414, Compound 91 ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase 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 | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human)) | BDBM363600![]() (US10640534, Compound 91 | US10689414, Compound 91 ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase 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 | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human)) | BDBM363600![]() (US10640534, Compound 91 | US10689414, Compound 91 ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase 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 [R132C] (Homo sapiens (Human)) | BDBM363600![]() (US10640534, Compound 91 | US10689414, Compound 91 ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase 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 [R132C] (Homo sapiens (Human)) | BDBM363600![]() (US10640534, Compound 91 | US10689414, Compound 91 ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase 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 | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human)) | BDBM363600![]() (US10640534, Compound 91 | US10689414, Compound 91 ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase 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 |