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BDBM50148292 ((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclopentyl ester::(S)-1-benzylcyclopentyl 1-oxohexan-2-ylcarbamate::1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE::CHEMBL117658

SMILES: CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O

InChI Key: InChIKey=ONABDOMWRCXLPX-KRWDZBQOSA-N

Data: 7 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50148292   
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 (H and K)


(Homo sapiens)
BDBM50148292
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O
Show InChI InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1
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PubMed
n/an/a>1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 978-83 (2006)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50148292
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O
Show InChI InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cathepsin L was determined in a fluorescence assay using 5 microM Cbz-Phe-Arg-AMC ...


Bioorg Med Chem Lett 14: 3425-9 (2004)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50148292
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O
Show InChI InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC as substrate


Bioorg Med Chem Lett 14: 3425-9 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin K


(Homo sapiens (human))
BDBM50148292
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O
Show InChI InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 978-83 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin (B and K)


(Homo sapiens)
BDBM50148292
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O
Show InChI InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1
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n/an/a 810n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 978-83 (2006)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50148292
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O
Show InChI InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 978-83 (2006)

More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50148292
PNG
(((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...)
Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O
Show InChI InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1
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PubMed
n/an/a 810n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cathepsin B was determined in a fluorescence assay using 10 microM Cbz-Phe-Arg-AMC...


Bioorg Med Chem Lett 14: 3425-9 (2004)

More data for this
Ligand-Target Pair