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PDB code 1Q6K

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin K

  (215/215 = 100%)
(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
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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

  (215/215 = 100%)
(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)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output