BDBM404661 US10344004, Test compound Table 3::US10442772, Example 2-118-1
SMILES: C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(CCC(O)=O)ccc12
InChI Key: InChIKey=RNMAUIMMNAHKQR-QFBILLFUSA-N
Data: 5 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)) | BDBM404661 (US10344004, Test compound Table 3 | US10442772, Ex...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of IDH1 R132C mutant (unknown origin) using alphaKG as substrate after 90 mins by fluorescence assay | Bioorg Med Chem 25: 6379-6387 (2017) Article DOI: 10.1016/j.bmc.2017.10.009 BindingDB Entry DOI: 10.7270/Q26M39CG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human)) | BDBM404661 (US10344004, Test compound Table 3 | US10442772, Ex...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alphaKG as substrate after 90 mins by fluorescence assay | Bioorg Med Chem 25: 6379-6387 (2017) Article DOI: 10.1016/j.bmc.2017.10.009 BindingDB Entry DOI: 10.7270/Q26M39CG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human)) | BDBM404661 (US10344004, Test compound Table 3 | US10442772, Ex...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate by by luminescence based assa... | J Med Chem 61: 8981-9003 (2018) Article DOI: 10.1021/acs.jmedchem.8b00159 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human)) | BDBM404661 (US10344004, Test compound Table 3 | US10442772, Ex...) | PDB GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER PHARMA AKTIENGESELLSCHAFT US Patent | Assay Description The biochemical reactions were performed at 32° C. in 384-well plates using a reaction volume of 41 μL and the following assay buffer conditions... | US Patent US10442772 (2019) BindingDB Entry DOI: 10.7270/Q21R6SVH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human)) | BDBM404661 (US10344004, Test compound Table 3 | US10442772, Ex...) | PDB GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharma Aktiengesellschaft US Patent | Assay Description IDH1 R132H catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption is determi... | US Patent US10344004 (2019) BindingDB Entry DOI: 10.7270/Q2BZ68DB | |||||||||||
More data for this Ligand-Target Pair |