BDBM50118665 CHEMBL3617085
SMILES: CCCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1
InChI Key: InChIKey=DJMVKKGOGVHJBN-UHFFFAOYSA-N
Data: 3 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 |
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Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human)) | BDBM50118665 (CHEMBL3617085) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D Curated by ChEMBL | Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... | J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Branched-chain-amino-acid transferase (Homo sapiens (Human)) | BDBM50118665 (CHEMBL3617085) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D Curated by ChEMBL | Assay Description Inhibition of BCATc (unknown origin) | J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human)) | BDBM50118665 (CHEMBL3617085) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D Curated by ChEMBL | Assay Description Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis | J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK | |||||||||||
More data for this Ligand-Target Pair |