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BDBM50255408 4-Benzenesulfonylamino-3-chloro-N-[1-(2S-ethyl-4-oxo-tetrahydro-furan-3S-ylcarbamoyl)-2S-(1-methyl-cyclopentyl)-ethyl]-benzamide::CHEMBL474059

SMILES: CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1

InChI Key: InChIKey=PURTXMAIRNXPDK-ZKMPZPQNSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50255408   
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))
BDBM50255408
PNG
(4-Benzenesulfonylamino-3-chloro-N-[1-(2S-ethyl-4-o...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C28H34ClN3O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)13-7-8-14-28)30-26(34)18-11-12-21(20(29)15-18)32-39(36,37)19-9-5-4-6-10-19/h4-6,9-12,15,22,24-25,32H,3,7-8,13-14,16-17H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/m0/s1
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12n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50255408
PNG
(4-Benzenesulfonylamino-3-chloro-N-[1-(2S-ethyl-4-o...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C28H34ClN3O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)13-7-8-14-28)30-26(34)18-11-12-21(20(29)15-18)32-39(36,37)19-9-5-4-6-10-19/h4-6,9-12,15,22,24-25,32H,3,7-8,13-14,16-17H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50255408
PNG
(4-Benzenesulfonylamino-3-chloro-N-[1-(2S-ethyl-4-o...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C28H34ClN3O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)13-7-8-14-28)30-26(34)18-11-12-21(20(29)15-18)32-39(36,37)19-9-5-4-6-10-19/h4-6,9-12,15,22,24-25,32H,3,7-8,13-14,16-17H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/m0/s1
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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay


Bioorg Med Chem 17: 1307-24 (2009)


Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9
More data for this
Ligand-Target Pair