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BDBM50137816 ((S)-1-Cyclohexyl-2-oxo-ethyl)-carbamic acid tert-butyl ester::CHEMBL92567::TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE

SMILES: CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1

InChI Key: InChIKey=BDSGOSWEKUGHOV-LLVKDONJSA-N

Data: 2 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 2 hits for monomerid = 50137816   
Target
(Institution)
LigandTarget
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))
BDBM50137816
PNG
(((S)-1-Cyclohexyl-2-oxo-ethyl)-carbamic acid tert-...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1
Show InChI InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,16)/t11-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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CHEMBL
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PC cid
PC sid
PDB
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Similars

AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



MSD Animal Health Innovation GmbH

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K (unknown origin)


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


(Homo sapiens (human))
BDBM50137816
PNG
(((S)-1-Cyclohexyl-2-oxo-ethyl)-carbamic acid tert-...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1
Show InChI InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,16)/t11-/m1/s1
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)