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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM138149'   
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))
BDBM138149
PNG
(US8877967, 17)
Show SMILES COc1ccc(cc1)C(=NNC(N)=S)c1cccc(c1)C(=O)c1ccc(O)cc1 |w:9.10|
Show InChI InChI=1S/C22H19N3O3S/c1-28-19-11-7-14(8-12-19)20(24-25-22(23)29)16-3-2-4-17(13-16)21(27)15-5-9-18(26)10-6-15/h2-13,26H,1H3,(H3,23,25,29)/b24-20-
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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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))
BDBM138149
PNG
(US8877967, 17)
Show SMILES COc1ccc(cc1)C(=NNC(N)=S)c1cccc(c1)C(=O)c1ccc(O)cc1 |w:9.10|
Show InChI InChI=1S/C22H19N3O3S/c1-28-19-11-7-14(8-12-19)20(24-25-22(23)29)16-3-2-4-17(13-16)21(27)15-5-9-18(26)10-6-15/h2-13,26H,1H3,(H3,23,25,29)/b24-20-
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