BDBM280034 US10028961, Compound 187::US10172864, Compound 187::US10946023, Compound 187
SMILES: CC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
InChI Key: InChIKey=YRSZQQILDIHZRT-UHFFFAOYSA-N
Data: 12 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)) | BDBM280034 (US10028961, Compound 187 | US10172864, Compound 18...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <50 | n/a | n/a | n/a | n/a | 6.5 | 25 |
Agios Pharmaceuticals, Inc. US Patent | Assay Description In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema... | US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132C (Homo sapiens (Human)) | BDBM280034 (US10028961, Compound 187 | US10172864, Compound 18...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <50 | n/a | n/a | n/a | n/a | 6.5 | 25 |
Agios Pharmaceuticals, Inc. US Patent | Assay Description In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema... | US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH2(R140Q) (Homo sapiens (Human)) | BDBM280034 (US10028961, Compound 187 | US10172864, Compound 18...) | 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)) | BDBM280034 (US10028961, Compound 187 | US10172864, Compound 18...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 550 | n/a | n/a | n/a | n/a | 7.5 | 25 |
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 US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132H (Homo sapiens (Human)) | BDBM280034 (US10028961, Compound 187 | US10172864, Compound 18...) | 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 In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema... | US Patent US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH2(R140Q) (Homo sapiens (Human)) | BDBM280034 (US10028961, Compound 187 | US10172864, Compound 18...) | 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)) | BDBM280034 (US10028961, Compound 187 | US10172864, Compound 18...) | 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)) | BDBM280034 (US10028961, Compound 187 | US10172864, Compound 18...) | 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 |
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 R132H (Homo sapiens (Human)) | BDBM280034 (US10028961, Compound 187 | US10172864, Compound 18...) | 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 |
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 WT/IDH1 R132H (Homo sapiens (Human)) | BDBM280034 (US10028961, Compound 187 | US10172864, Compound 18...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia 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 In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema... | US Patent US10946023 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 WT/IDH1 R132C (Homo sapiens (Human)) | BDBM280034 (US10028961, Compound 187 | US10172864, Compound 18...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia 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 In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema... | US Patent US10946023 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IDH1 R132H (Homo sapiens (Human)) | BDBM280034 (US10028961, Compound 187 | US10172864, Compound 18...) | 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 In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema... | US Patent US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3 | |||||||||||
More data for this Ligand-Target Pair |