BindingDB logo
myBDB logout

null

SMILES: CN(C)c1ccc(cc1)C(=O)NCCSc1cc(ccc1C(F)(F)F)-c1nn(CC(O)CN2CCC(CC2)N2CCCC2=O)c2CCN(Cc12)S(C)(=O)=O

InChI Key: InChIKey=RTRNCQYPYRGSGS-UHFFFAOYSA-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 = 50314180   
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 S


(Homo sapiens (Human))		BDBM50314180
PNG
(CHEMBL1076796 | rac-4-(dimethylamino)-N-(2-(5-(1-(...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCSc1cc(ccc1C(F)(F)F)-c1nn(CC(O)CN2CCC(CC2)N2CCCC2=O)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C37H48F3N7O5S2/c1-43(2)27-9-6-25(7-10-27)36(50)41-15-20-53-33-21-26(8-11-31(33)37(38,39)40)35-30-24-45(54(3,51)52)19-14-32(30)47(42-35)23-29(48)22-44-17-12-28(13-18-44)46-16-4-5-34(46)49/h6-11,21,28-29,48H,4-5,12-20,22-24H2,1-3H3,(H,41,50)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 530n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S

Bioorg Med Chem Lett 20: 2370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.108
BindingDB Entry DOI: 10.7270/Q2G160Z4
More data for this
Ligand-Target Pair