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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Branched-chain-amino-acid aminotransferase, cytosolic' and Ligand = 'BDBM50607305'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))
BDBM50607305
PNG
(CHEMBL5220789)
Show SMILES COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc([nH]c1=O)-c1ccccc1 |(4.01,-3.85,;2.67,-3.08,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,2.31,;2.67,1.54,;2.67,3.08,;4,3.85,;5.34,3.07,;6.67,3.85,;6.66,5.38,;5.33,6.15,;4,5.39,;2.67,6.16,;1.34,.77,;1.34,-.77,;0,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,-1.54,;-2.67,-3.08,;-1.33,-3.85,;0,-3.08,;1.34,-3.85,;-4,-3.85,;-4,-5.39,;-5.33,-6.16,;-6.66,-5.39,;-6.67,-3.85,;-5.34,-3.08,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 725n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00441
BindingDB Entry DOI: 10.7270/Q2SN0F31
More data for this
Ligand-Target Pair