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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM241378'   
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))
BDBM241378
PNG
(US9409908, 10)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3nccc(Cl)c3F)c3cc-2ccn3)c1
Show InChI InChI=1S/C30H29ClFN5O4/c1-17-4-3-5-25(37-13-10-19(15-26(37)38)28-27(32)22(31)9-12-34-28)24-14-18(8-11-33-24)21-7-6-20(35-30(40)41-2)16-23(21)36-29(17)39/h6-9,11-12,14-17,25H,3-5,10,13H2,1-2H3,(H,35,40)(H,36,39)/t17-,25+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1 -51.4n/an/an/an/an/an/a25



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 US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair