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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM138147'   
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
Cathepsin K


(Homo sapiens (Human))
BDBM138147
PNG
(US8877967, 19)
Show SMILES COc1ccc(cc1)C(=NNC(N)=S)c1cccc(c1)C(=NNC(N)=S)c1ccc(O)cc1 |w:21.23,9.10|
Show InChI InChI=1S/C23H22N6O2S2/c1-31-19-11-7-15(8-12-19)21(27-29-23(25)33)17-4-2-3-16(13-17)20(26-28-22(24)32)14-5-9-18(30)10-6-14/h2-13,30H,1H3,(H3,24,28,32)(H3,25,29,33)/b26-20+,27-21-
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.20E+3n/an/an/an/a3.525



OXiGENE, Inc.; Baylor University

US Patent


Assay Description
Recombinant human procathepsin K was obtained from Enzo Life Sciences. Activation of the proenzyme was performed in 32.5 mM sodium acetate pH 3.5, ED...


US Patent US8877967 (2014)


BindingDB Entry DOI: 10.7270/Q25H7F0C
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM138147
PNG
(US8877967, 19)
Show SMILES COc1ccc(cc1)C(=NNC(N)=S)c1cccc(c1)C(=NNC(N)=S)c1ccc(O)cc1 |w:21.23,9.10|
Show InChI InChI=1S/C23H22N6O2S2/c1-31-19-11-7-15(8-12-19)21(27-29-23(25)33)17-4-2-3-16(13-17)20(26-28-22(24)32)14-5-9-18(30)10-6-14/h2-13,30H,1H3,(H3,24,28,32)(H3,25,29,33)/b26-20+,27-21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.16E+3n/an/an/an/a3.525



OXiGENE, Inc.; Baylor University

US Patent


Assay Description
Recombinant human procathepsin K was obtained from Enzo Life Sciences. Activation of the proenzyme was performed in 32.5 mM sodium acetate pH 3.5, ED...


US Patent US8877967 (2014)


BindingDB Entry DOI: 10.7270/Q25H7F0C
More data for this
Ligand-Target Pair