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BDBM50128953 CHEMBL64178::{(S)-1-[2-(4-Isobutoxy-phenylamino)-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester

SMILES: CC(C)COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc1

InChI Key: InChIKey=MKTKDKIRZRZPCQ-DEOSSOPVSA-N

Data: 3 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50128953   
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))
BDBM50128953
PNG
(CHEMBL64178 | {(S)-1-[2-(4-Isobutoxy-phenylamino)-...)
Show SMILES CC(C)COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C26H37N3O4/c1-19(2)16-24(29-26(31)33-18-21-8-6-5-7-9-21)25(30)28-15-14-27-22-10-12-23(13-11-22)32-17-20(3)4/h5-13,19-20,24,27H,14-18H2,1-4H3,(H,28,30)(H,29,31)/t24-/m0/s1
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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin S activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50128953
PNG
(CHEMBL64178 | {(S)-1-[2-(4-Isobutoxy-phenylamino)-...)
Show SMILES CC(C)COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C26H37N3O4/c1-19(2)16-24(29-26(31)33-18-21-8-6-5-7-9-21)25(30)28-15-14-27-22-10-12-23(13-11-22)32-17-20(3)4/h5-13,19-20,24,27H,14-18H2,1-4H3,(H,28,30)(H,29,31)/t24-/m0/s1
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L activity


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50128953
PNG
(CHEMBL64178 | {(S)-1-[2-(4-Isobutoxy-phenylamino)-...)
Show SMILES CC(C)COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C26H37N3O4/c1-19(2)16-24(29-26(31)33-18-21-8-6-5-7-9-21)25(30)28-15-14-27-22-10-12-23(13-11-22)32-17-20(3)4/h5-13,19-20,24,27H,14-18H2,1-4H3,(H,28,30)(H,29,31)/t24-/m0/s1
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Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K activity using fluorescence assay


Bioorg Med Chem Lett 13: 1997-2001 (2003)


Article DOI: 10.1016/s0960-894x(03)00344-5
BindingDB Entry DOI: 10.7270/Q2VD6XTQ
More data for this
Ligand-Target Pair