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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kallikrein-1' and Ligand = 'BDBM186879'   
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-1


(Homo sapiens (Human))
BDBM186879
PNG
(US9670157, 45 2,5-Dimethyl-1-(2-phenyl-thiazol-4-y...)
Show SMILES Cc1cc(C(=O)NCc2ccc(CN)c(F)c2)c(C)n1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C25H25FN4OS/c1-16-10-22(24(31)28-13-18-8-9-20(12-27)23(26)11-18)17(2)30(16)14-21-15-32-25(29-21)19-6-4-3-5-7-19/h3-11,15H,12-14,27H2,1-2H3,(H,28,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



Kalvista Pharmceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


US Patent US9834513 (2017)


BindingDB Entry DOI: 10.7270/Q2348NPS
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM186879
PNG
(US9670157, 45 2,5-Dimethyl-1-(2-phenyl-thiazol-4-y...)
Show SMILES Cc1cc(C(=O)NCc2ccc(CN)c(F)c2)c(C)n1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C25H25FN4OS/c1-16-10-22(24(31)28-13-18-8-9-20(12-27)23(26)11-18)17(2)30(16)14-21-15-32-25(29-21)19-6-4-3-5-7-19/h3-11,15H,12-14,27H2,1-2H3,(H,28,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


US Patent US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair