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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kallikrein-7' and Ligand = 'BDBM99998'   
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))
BDBM99998
PNG
(4-(2,4-Dimethoxy-phenyl)-2,7,7-trimethyl-3-(morpho...)
Show SMILES COc1ccc(C2C3C(=O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCOCC2)c(OC)c1 |c:16,19|
Show InChI InChI=1S/C25H32N2O5/c1-15-21(24(29)27-8-10-32-11-9-27)22(17-7-6-16(30-4)12-20(17)31-5)23-18(26-15)13-25(2,3)14-19(23)28/h6-7,12,22-23H,8-11,13-14H2,1-5H3
PDB
MMDB

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PC cid
PC sid
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n/an/an/an/a 5.24E+4n/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