BindingDB logo
myBDB logout

null

SMILES: CCCC[C@H](NC(=O)OCC1(CSc2nc3ccccc3o2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1

InChI Key: InChIKey=XHIYFFGUTCUBCZ-OFNKIYASSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50154195   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cathepsin K


(Homo sapiens (Human))		BDBM50154195
PNG
(CHEMBL360418 | [1-(1-Phenyl-ethylaminooxalyl)-pent...)
Show SMILES CCCC[C@H](NC(=O)OCC1(CSc2nc3ccccc3o2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C29H35N3O5S/c1-3-4-13-23(25(33)26(34)30-20(2)21-11-6-5-7-12-21)31-27(35)36-18-29(16-10-17-29)19-38-28-32-22-14-8-9-15-24(22)37-28/h5-9,11-12,14-15,20,23H,3-4,10,13,16-19H2,1-2H3,(H,30,34)(H,31,35)/t20-,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents
Article
PubMed
n/an/a 51n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory potency against human Cathepsin K

J Med Chem 47: 5057-68 (2004)


Article DOI: 10.1021/jm040107n
BindingDB Entry DOI: 10.7270/Q23T9GP0
More data for this
Ligand-Target Pair