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BDBM50113667 4-Benzyloxy-N-{1-[2-(4-methoxy-phenylamino)-ethylcarbamoyl]-3-methyl-butyl}-benzamide::CHEMBL77665

SMILES: COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1

InChI Key: InChIKey=CKNATELLDRWWKR-MHZLTWQESA-N

Data: 1 KI  3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50113667   
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))
BDBM50113667
PNG
(4-Benzyloxy-N-{1-[2-(4-methoxy-phenylamino)-ethylc...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C29H35N3O4/c1-21(2)19-27(29(34)31-18-17-30-24-11-15-25(35-3)16-12-24)32-28(33)23-9-13-26(14-10-23)36-20-22-7-5-4-6-8-22/h4-16,21,27,30H,17-20H2,1-3H3,(H,31,34)(H,32,33)/t27-/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Eq. constant (Ki) for inhibition of Cathepsin K was determined by progress curves, following hydrolysis of Z-Phe-Arg- Amc in the absence and presence...


J Med Chem 45: 2352-4 (2002)


Article DOI: 10.1021/jm010801s
BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50113667
PNG
(4-Benzyloxy-N-{1-[2-(4-methoxy-phenylamino)-ethylc...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C29H35N3O4/c1-21(2)19-27(29(34)31-18-17-30-24-11-15-25(35-3)16-12-24)32-28(33)23-9-13-26(14-10-23)36-20-22-7-5-4-6-8-22/h4-16,21,27,30H,17-20H2,1-3H3,(H,31,34)(H,32,33)/t27-/m0/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S in a fluorescence assay


J Med Chem 45: 2352-4 (2002)


Article DOI: 10.1021/jm010801s
BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50113667
PNG
(4-Benzyloxy-N-{1-[2-(4-methoxy-phenylamino)-ethylc...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C29H35N3O4/c1-21(2)19-27(29(34)31-18-17-30-24-11-15-25(35-3)16-12-24)32-28(33)23-9-13-26(14-10-23)36-20-22-7-5-4-6-8-22/h4-16,21,27,30H,17-20H2,1-3H3,(H,31,34)(H,32,33)/t27-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin L in a fluorescence assay.


J Med Chem 45: 2352-4 (2002)


Article DOI: 10.1021/jm010801s
BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50113667
PNG
(4-Benzyloxy-N-{1-[2-(4-methoxy-phenylamino)-ethylc...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C29H35N3O4/c1-21(2)19-27(29(34)31-18-17-30-24-11-15-25(35-3)16-12-24)32-28(33)23-9-13-26(14-10-23)36-20-22-7-5-4-6-8-22/h4-16,21,27,30H,17-20H2,1-3H3,(H,31,34)(H,32,33)/t27-/m0/s1
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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin K in fluorescence assay


J Med Chem 45: 2352-4 (2002)


Article DOI: 10.1021/jm010801s
BindingDB Entry DOI: 10.7270/Q2DV1J73
More data for this
Ligand-Target Pair