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BDBM50162495 CHEMBL3792472

SMILES: OC(=O)Cc1noc2ccccc12

InChI Key: InChIKey=BVSIAYQIMUUCRW-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50162495   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162495
PNG
(CHEMBL3792472)
Show SMILES OC(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C9H7NO3/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a<1.26E+6n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)