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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM368526'   
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
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM368526
PNG
(1-(difluoromethyl)-N- (1H-pyrazolo [4,3-b]pyridin-...)
Show SMILES FC(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
Show InChI InChI=1S/C16H11F2N5/c17-15(18)13-11-4-3-10(8-9(11)5-7-20-13)21-16-14-12(22-23-16)2-1-6-19-14/h1-8,15H,(H2,21,22,23)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.10.050
BindingDB Entry DOI: 10.7270/Q2MG7T2H
More data for this
Ligand-Target Pair