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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kallikrein-7' and Ligand = 'BDBM100162'   
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
Kallikrein-7


(Homo sapiens (Human))
BDBM100162
PNG
(3-[(3R,4S)-4-ethyl-5-(4-fluorophenyl)-2-phenyl-2-p...)
Show SMILES CC[C@H]1[C@@H](N(N=C1c1ccc(F)cc1)c1ccccc1)C(=O)N1CCOC1=O |c:5|
Show InChI InChI=1S/C21H20FN3O3/c1-2-17-18(14-8-10-15(22)11-9-14)23-25(16-6-4-3-5-7-16)19(17)20(26)24-12-13-28-21(24)27/h3-11,17,19H,2,12-13H2,1H3/t17-,19-/m1/s1
PDB
MMDB

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PCBioAssay
n/an/an/an/a 7.45E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair