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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50165420'   
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))		BDBM50165420
PNG
(CHEMBL197509 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)C(=O)N[C@H](C)c1ccccc1 |wD:4.4,24.27,TLB:18:17:15:12.11.13,THB:13:12:9:14.16.15,13:14:9:12.11.18,8:9:15:12.11.13,18:12:9.17.16:15,(1.45,-4.67,;2.78,-3.9,;2.78,-2.36,;4.11,-1.59,;4.11,-.05,;2.78,.72,;1.45,-.05,;1.45,-1.59,;.12,.72,;-1.21,-.05,;-1.23,-1.57,;-2.63,-1.92,;-3.96,-1.43,;-5.15,-2.71,;-3.66,-2.29,;-2.24,-2.85,;-3.66,-.7,;-2.61,.53,;-3.96,.06,;5.44,.72,;5.44,2.26,;6.77,-.05,;6.77,-1.59,;8.12,.72,;9.45,-.05,;10.79,.72,;9.45,-1.59,;8.1,-2.34,;8.1,-3.88,;9.45,-4.65,;10.79,-3.88,;10.78,-2.34,)|
Show InChI InChI=1S/C26H36N2O4/c1-3-4-10-22(23(29)25(30)27-16(2)19-8-6-5-7-9-19)28-26(31)32-24-20-12-17-11-18(14-20)15-21(24)13-17/h5-9,16-18,20-22,24H,3-4,10-15H2,1-2H3,(H,27,30)(H,28,31)/t16-,17?,18?,20?,21?,22+,24?/m1/s1
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n/an/a 7.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin K

Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
More data for this
Ligand-Target Pair