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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM335785'   
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
Plasma kallikrein


(Homo sapiens (Human))
BDBM335785
PNG
(4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- triaz...)
Show SMILES COC(=O)c1ccc(NC(=O)[C@@H]2N(CCc3c2cccc3-c2ccc3CNCCc3c2)C(=O)[C@H]2CC(=NO2)c2cccc(Cl)c2F)cc1 |r,c:39|
Show InChI InChI=1S/C37H32ClFN4O5/c1-47-37(46)21-10-12-25(13-11-21)41-35(44)34-28-5-2-4-26(23-8-9-24-20-40-16-14-22(24)18-23)27(28)15-17-43(34)36(45)32-19-31(42-48-32)29-6-3-7-30(38)33(29)39/h2-13,18,32,34,40H,14-17,19-20H2,1H3,(H,41,44)/t32-,34-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.81n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...


US Patent US9738655 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R3R
More data for this
Ligand-Target Pair