BDBM279857 BDBM279926::US10028961, Compound 4::US10172864, Compound 76::US10946023, Compound 76
SMILES: CC(C)(C)Nc1nc(NC(C)(C)C)nc(n1)-c1cccc(n1)C(F)(F)F
InChI Key: InChIKey=GSAWFHLLQMRJAD-UHFFFAOYSA-N
Data: 19 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)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 75 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Agios Pharmaceuticals, Inc. US Patent | Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m... | US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH2(R140Q) (Homo sapiens (Human)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Agios Pharmaceuticals, Inc. US Patent | Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio... | US Patent US10946023 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH2(R140Q) (Homo sapiens (Human)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <50 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Agios Pharmaceuticals, Inc. US Patent | Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio... | US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132H (Homo sapiens (Human)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 75 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Agios Pharmaceuticals, Inc. US Patent | Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m... | US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132C (Homo sapiens (Human)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 75 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Agios Pharmaceuticals, Inc. US Patent | Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m... | US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH2(R140Q) (Homo sapiens (Human)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <50 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Agios Pharmaceuticals, Inc. US Patent | Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio... | US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132H (Homo sapiens (Human)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 75 | 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 US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132C (Homo sapiens (Human)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 75 | 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 US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH2(R140Q) (Homo sapiens (Human)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Agios Pharmaceuticals, Inc. US Patent | Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio... | US Patent US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132H (Homo sapiens (Human)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 75 | 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 US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132C (Homo sapiens (Human)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 75 | 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 US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH2(R140Q) (Homo sapiens (Human)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Agios Pharmaceuticals, Inc. US Patent | Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio... | US Patent US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isocitrate dehydrogenase 2 (IDH2) (Homo sapiens (Human)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Agios Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of full-length C-terminal His6 tagged IDH2 R140Q mutant (1 to 452 residues) (unknown origin) homodimer expressed in Sf9 cells assessed as ... | ACS Med Chem Lett 11: 101-107 (2020) Article DOI: 10.1021/acsmedchemlett.9b00509 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132H (Homo sapiens (Human)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 75 | 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 US10946023 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132C (Homo sapiens (Human)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 75 | 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 US10946023 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH2(R140Q) (Homo sapiens (Human)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Agios Pharmaceuticals, Inc. US Patent | Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio... | US Patent US10946023 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132H (Homo sapiens (Human)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 75 | 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 US10946023 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132C (Homo sapiens (Human)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 75 | 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 US10946023 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132C (Homo sapiens (Human)) | BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 75 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Agios Pharmaceuticals, Inc. US Patent | Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m... | US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM | |||||||||||
More data for this Ligand-Target Pair |