BDBM375149 6-{[1-(6-chloro-2-oxo-::US10253015, Compound I-9
SMILES: CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O
InChI Key:
Data: 6 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 R132H (Homo sapiens (Human)) | BDBM375149 (6-{[1-(6-chloro-2-oxo- | US10253015, Compound I-9) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine | Assay Description Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13... | Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132C (Homo sapiens (Human)) | BDBM375149 (6-{[1-(6-chloro-2-oxo- | US10253015, Compound I-9) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine | Assay Description Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13... | Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human)) | BDBM375149 (6-{[1-(6-chloro-2-oxo- | US10253015, Compound I-9) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 606 | n/a | n/a | n/a | n/a | n/a | n/a |
Forma Therapeutics, Inc. Curated by ChEMBL | Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132C mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta... | J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132C (Homo sapiens (Human)) | BDBM375149 (6-{[1-(6-chloro-2-oxo- | US10253015, Compound I-9) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine | Assay Description HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco... | Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human)) | BDBM375149 (6-{[1-(6-chloro-2-oxo- | US10253015, Compound I-9) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Forma Therapeutics, Inc. Curated by ChEMBL | Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta... | J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132H (Homo sapiens (Human)) | BDBM375149 (6-{[1-(6-chloro-2-oxo- | US10253015, Compound I-9) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine | Assay Description HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco... | Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02 | |||||||||||
More data for this Ligand-Target Pair |