BindingDB logo
myBDB logout

BDBM50148298 ((S)-1-Formyl-pentyl)-carbamic acid (R)-1-benzyl-2-methyl-propyl ester::(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-1-FORMYLPENTYL]CARBAMATE::(R)-3-methyl-1-phenylbutan-2-yl (S)-1-oxohexan-2-ylcarbamate::CHEMBL113948

SMILES: CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=O

InChI Key: InChIKey=ZLZXUNHJWVLGTE-DLBZAZTESA-N

Data: 5 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 5 hits for monomerid = 50148298   
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)
BDBM50148298
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (R)-1-benzyl-2...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=O
Show InChI InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 18n/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 K


(Homo sapiens (human))
BDBM50148298
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (R)-1-benzyl-2...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=O
Show InChI InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
PDB
Article
PubMed
n/an/a 0.5n/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 L1


(Homo sapiens (human))
BDBM50148298
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (R)-1-benzyl-2...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=O
Show InChI InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 12n/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 K


(Homo sapiens (human))
BDBM50148298
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (R)-1-benzyl-2...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=O
Show InChI InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
PDB
Article
PubMed
n/an/a 0.5n/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)
BDBM50148298
PNG
(((S)-1-Formyl-pentyl)-carbamic acid (R)-1-benzyl-2...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=O
Show InChI InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 27n/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