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BDBM50162829 1-(1-{3-[5-Acetyl-3-(4-bromo-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxy-propyl}-piperidin-4-yl)-5,6-dichloro-1,3-dihydro-benzoimidazol-2-one::CHEMBL262666

SMILES: CC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)n1c2cc(Cl)c(Cl)cc2[nH]c1=O)-c1ccc(Br)cc1

InChI Key: InChIKey=GWJRWFZRLAGSCF-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50162829   
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))
BDBM50162829
PNG
(1-(1-{3-[5-Acetyl-3-(4-bromo-phenyl)-4,5,6,7-tetra...)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)n1c2cc(Cl)c(Cl)cc2[nH]c1=O)-c1ccc(Br)cc1
Show InChI InChI=1/C29H31BrCl2N6O3/c1-17(39)36-11-8-26-22(16-36)28(18-2-4-19(30)5-3-18)34-37(26)15-21(40)14-35-9-6-20(7-10-35)38-27-13-24(32)23(31)12-25(27)33-29(38)41/h2-5,12-13,20-21,40H,6-11,14-16H2,1H3,(H,33,41)
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Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair