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BDBM50255570 4-(4-Cyano-benzenesulfonylamino)-N-[1-(2S-ethyl-4-oxo-tetrahydro-furan-3S-ylcarbamoyl)-2S-(1-methyl-cyclopentyl)-ethyl]-benzamide::CHEMBL514195

SMILES: CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(cc2)C#N)cc1

InChI Key: InChIKey=SFTJBZSYFBMXOQ-AYRHNUGRSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50255570   
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))
BDBM50255570
PNG
(4-(4-Cyano-benzenesulfonylamino)-N-[1-(2S-ethyl-4-...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C29H34N4O6S/c1-3-25-26(24(34)18-39-25)32-28(36)23(16-29(2)14-4-5-15-29)31-27(35)20-8-10-21(11-9-20)33-40(37,38)22-12-6-19(17-30)7-13-22/h6-13,23,25-26,33H,3-5,14-16,18H2,1-2H3,(H,31,35)(H,32,36)/t23-,25-,26+/m0/s1
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PC cid
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Article
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1.10n/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 K


(Homo sapiens (Human))
BDBM50255570
PNG
(4-(4-Cyano-benzenesulfonylamino)-N-[1-(2S-ethyl-4-...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C29H34N4O6S/c1-3-25-26(24(34)18-39-25)32-28(36)23(16-29(2)14-4-5-15-29)31-27(35)20-8-10-21(11-9-20)33-40(37,38)22-12-6-19(17-30)7-13-22/h6-13,23,25-26,33H,3-5,14-16,18H2,1-2H3,(H,31,35)(H,32,36)/t23-,25-,26+/m0/s1
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950n/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
Cathepsin L1


(Homo sapiens (Human))
BDBM50255570
PNG
(4-(4-Cyano-benzenesulfonylamino)-N-[1-(2S-ethyl-4-...)
Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C29H34N4O6S/c1-3-25-26(24(34)18-39-25)32-28(36)23(16-29(2)14-4-5-15-29)31-27(35)20-8-10-21(11-9-20)33-40(37,38)22-12-6-19(17-30)7-13-22/h6-13,23,25-26,33H,3-5,14-16,18H2,1-2H3,(H,31,35)(H,32,36)/t23-,25-,26+/m0/s1
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.90E+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