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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50374399'   
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))
BDBM50374399
PNG
(CHEMBL209293)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(cc1)N(C)C)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C27H33N5O5/c1-4-9-20(22(33)25-31-30-24(37-25)21-10-8-17-36-21)28-26(35)27(15-6-5-7-16-27)29-23(34)18-11-13-19(14-12-18)32(2)3/h8,10-14,17,20H,4-7,9,15-16H2,1-3H3,(H,28,35)(H,29,34)/t20-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.950n/an/an/an/an/an/an/an/a



Celera Genomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K


Bioorg Med Chem Lett 16: 2909-14 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.001
BindingDB Entry DOI: 10.7270/Q2QN6808
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50374399
PNG
(CHEMBL209293)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(cc1)N(C)C)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C27H33N5O5/c1-4-9-20(22(33)25-31-30-24(37-25)21-10-8-17-36-21)28-26(35)27(15-6-5-7-16-27)29-23(34)18-11-13-19(14-12-18)32(2)3/h8,10-14,17,20H,4-7,9,15-16H2,1-3H3,(H,28,35)(H,29,34)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.950n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K


Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
More data for this
Ligand-Target Pair