BDBM50465389 CHEMBL4282267
SMILES: NS(=O)(=O)c1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
InChI Key: InChIKey=SSAWNUASFIDLCA-MMTVBGGISA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human)) | BDBM50465389 (CHEMBL4282267) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Agios Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis | ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human)) | BDBM50465389 (CHEMBL4282267) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Agios Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph... | ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG | |||||||||||
More data for this Ligand-Target Pair |