BDBM279855 US10028961, Compound 2::US10172864, Compound 2::US10946023, Compound 2
SMILES: C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
InChI Key: InChIKey=KRSKURCJOGAEOS-GHMZBOCLSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
IDH1 R132H (Homo sapiens (Human)) | BDBM279855 (US10028961, Compound 2 | US10172864, Compound 2 | ...) | PDB GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB 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 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 | 3D Structure (crystal) | ||||||||||||
IDH1 R132C (Homo sapiens (Human)) | BDBM279855 (US10028961, Compound 2 | US10172864, Compound 2 | ...) | PDB GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB 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 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 | 3D Structure (crystal) | ||||||||||||
IDH2(R140Q) (Homo sapiens (Human)) | BDBM279855 (US10028961, Compound 2 | US10172864, Compound 2 | ...) | PDB GoogleScholar AffyNet | PC cid PC sid PDB 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)) | BDBM279855 (US10028961, Compound 2 | US10172864, Compound 2 | ...) | PDB GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB 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 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 | 3D Structure (crystal) | ||||||||||||
IDH1 R132C (Homo sapiens (Human)) | BDBM279855 (US10028961, Compound 2 | US10172864, Compound 2 | ...) | PDB GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB 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 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 | 3D Structure (crystal) | ||||||||||||
IDH2(R140Q) (Homo sapiens (Human)) | BDBM279855 (US10028961, Compound 2 | US10172864, Compound 2 | ...) | PDB GoogleScholar AffyNet | PC cid PC sid PDB 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 | |||||||||||||
IDH2(R140Q) (Homo sapiens (Human)) | BDBM279855 (US10028961, Compound 2 | US10172864, Compound 2 | ...) | PDB GoogleScholar AffyNet | PC cid PC sid PDB 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 | |||||||||||||
Isocitrate dehydrogenase 2 (IDH2) (Homo sapiens (Human)) | BDBM279855 (US10028961, Compound 2 | US10172864, Compound 2 | ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Agios Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) transfected using lentiviral expression system in human U87MG cells assessed as reduction in 2-HG co... | ACS Med Chem Lett 11: 101-107 (2020) Article DOI: 10.1021/acsmedchemlett.9b00509 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human)) | BDBM279855 (US10028961, Compound 2 | US10172864, Compound 2 | ...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 48 | 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 His8 tagged IDH1 R132H mutant (1 to 414 residues) (unknown origin) homodimer expressed in Escherichia coli BE3 c... | ACS Med Chem Lett 11: 101-107 (2020) Article DOI: 10.1021/acsmedchemlett.9b00509 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Isocitrate dehydrogenase 2 (IDH2) (Homo sapiens (Human)) | BDBM279855 (US10028961, Compound 2 | US10172864, Compound 2 | ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 22 | 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)) | BDBM279855 (US10028961, Compound 2 | US10172864, Compound 2 | ...) | PDB GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB 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 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 | 3D Structure (crystal) | ||||||||||||
IDH1 R132C (Homo sapiens (Human)) | BDBM279855 (US10028961, Compound 2 | US10172864, Compound 2 | ...) | PDB GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB 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 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 | 3D Structure (crystal) | ||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human)) | BDBM279855 (US10028961, Compound 2 | US10172864, Compound 2 | ...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 2 | 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 in glioma patient-derived human TS603 neurosphere cells assessed as reduction in 2-HG content using alpha-ketoglutara... | ACS Med Chem Lett 11: 101-107 (2020) Article DOI: 10.1021/acsmedchemlett.9b00509 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |