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BDBM50106075 (S)-1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-ethyl]-piperidine-2-carboxylic acid [(1S,2S)-2-methyl-1-((E)-styryl)-butyl]-amide::CHEMBL319522

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCN1CC(=O)c1cc(OC)c(OC)c(OC)c1)\C=C\c1ccccc1

InChI Key: InChIKey=IWWIJQJCVRAIBL-OVVLQAJVSA-N

Data: 1 KI  1 IC50

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 = 50106075   
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 K


(Homo sapiens (Human))
BDBM50106075
PNG
((S)-1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-ethyl]-pi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCN1CC(=O)c1cc(OC)c(OC)c(OC)c1)\C=C\c1ccccc1
Show InChI InChI=1S/C30H40N2O5/c1-6-21(2)24(16-15-22-12-8-7-9-13-22)31-30(34)25-14-10-11-17-32(25)20-26(33)23-18-27(35-3)29(37-5)28(19-23)36-4/h7-9,12-13,15-16,18-19,21,24-25H,6,10-11,14,17,20H2,1-5H3,(H,31,34)/b16-15+/t21-,24+,25-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
790n/an/an/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against cathepsin K


Bioorg Med Chem Lett 11: 2951-4 (2001)


BindingDB Entry DOI: 10.7270/Q23R0S5W
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50106075
PNG
((S)-1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-ethyl]-pi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCN1CC(=O)c1cc(OC)c(OC)c(OC)c1)\C=C\c1ccccc1
Show InChI InChI=1S/C30H40N2O5/c1-6-21(2)24(16-15-22-12-8-7-9-13-22)31-30(34)25-14-10-11-17-32(25)20-26(33)23-18-27(35-3)29(37-5)28(19-23)36-4/h7-9,12-13,15-16,18-19,21,24-25H,6,10-11,14,17,20H2,1-5H3,(H,31,34)/b16-15+/t21-,24+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against cathepsin K


Bioorg Med Chem Lett 11: 2951-4 (2001)


BindingDB Entry DOI: 10.7270/Q23R0S5W
More data for this
Ligand-Target Pair