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BDBM50118630 CHEMBL3617090

SMILES: O=c1cc(Cc2ccccc2)[nH]c2c(cnn12)C#N

InChI Key: InChIKey=RAGSEECOXCGMEQ-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches 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 2 hits for monomerid = 50118630   
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)
BDBM50118630
PNG
(CHEMBL3617090)
Show SMILES O=c1cc(Cc2ccccc2)[nH]c2c(cnn12)C#N
Show InChI InChI=1S/C14H10N4O/c15-8-11-9-16-18-13(19)7-12(17-14(11)18)6-10-4-2-1-3-5-10/h1-5,7,9,17H,6H2
PDB

UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem

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Similars

PDB
PubMed
n/an/a 2.51E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118630
PNG
(CHEMBL3617090)
Show SMILES O=c1cc(Cc2ccccc2)[nH]c2c(cnn12)C#N
Show InChI InChI=1S/C14H10N4O/c15-8-11-9-16-18-13(19)7-12(17-14(11)18)6-10-4-2-1-3-5-10/h1-5,7,9,17H,6H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
n/an/a 2.51E+4n/an/an/an/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)