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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50138849'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin K


(Homo sapiens (Human))
BDBM50138849
PNG
(CHEMBL157224 | [(S)-1-(2-Isopropyl-2H-pyrazol-3-yl...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1C(C)C
Show InChI InChI=1S/C21H36N4O4/c1-8-9-10-16(23-21(28)29-19(13(2)3)14(4)5)18(26)20(27)24-17-11-12-22-25(17)15(6)7/h11-16,19H,8-10H2,1-7H3,(H,23,28)(H,24,27)/t16-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of cysteine protease cathepsin K of human


J Med Chem 47: 588-99 (2004)


Article DOI: 10.1021/jm030373l
BindingDB Entry DOI: 10.7270/Q29S1QF7
More data for this
Ligand-Target Pair
Cathepsin K


(Rattus norvegicus)
BDBM50138849
PNG
(CHEMBL157224 | [(S)-1-(2-Isopropyl-2H-pyrazol-3-yl...)
Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1C(C)C
Show InChI InChI=1S/C21H36N4O4/c1-8-9-10-16(23-21(28)29-19(13(2)3)14(4)5)18(26)20(27)24-17-11-12-22-25(17)15(6)7/h11-16,19H,8-10H2,1-7H3,(H,23,28)(H,24,27)/t16-/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cystiene protease cathepsin K of rat


J Med Chem 47: 588-99 (2004)


Article DOI: 10.1021/jm030373l
BindingDB Entry DOI: 10.7270/Q29S1QF7
More data for this
Ligand-Target Pair