BDBM50118525 CHEMBL3617092
SMILES: CCCc1cc(=O)n2nc(NCc3ccc(Br)cc3)nc2[nH]1
InChI Key: InChIKey=XWQCDOISHBZRCV-UHFFFAOYSA-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 |
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Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human)) | BDBM50118525 (CHEMBL3617092) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 631 | 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 | 3D Structure (crystal) | ||||||||||||
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human)) | BDBM50118525 (CHEMBL3617092) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 794 | 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 | 3D Structure (crystal) |