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BDBM50045791 3-[1-(3-Cyclopentyl-propyl)-3,4-dimethyl-piperidin-4-yl]-phenol::CHEMBL95647

SMILES: C[C@H]1CN(CCCC2CCCC2)CC[C@@]1(C)c1cccc(O)c1

InChI Key: InChIKey=XSTQZUUYBMKYFS-LAUBAEHRSA-N

Data: 2 KI

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 = 50045791   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50045791
PNG
(3-[1-(3-Cyclopentyl-propyl)-3,4-dimethyl-piperidin...)
Show SMILES C[C@H]1CN(CCCC2CCCC2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H33NO/c1-17-16-22(13-6-9-18-7-3-4-8-18)14-12-21(17,2)19-10-5-11-20(23)15-19/h5,10-11,15,17-18,23H,3-4,6-9,12-14,16H2,1-2H3/t17-,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.370n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by the displacement of [3H]-Nal in rat brain homogenates


J Med Chem 36: 2842-50 (1993)


BindingDB Entry DOI: 10.7270/Q2R78D9W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045791
PNG
(3-[1-(3-Cyclopentyl-propyl)-3,4-dimethyl-piperidin...)
Show SMILES C[C@H]1CN(CCCC2CCCC2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H33NO/c1-17-16-22(13-6-9-18-7-3-4-8-18)14-12-21(17,2)19-10-5-11-20(23)15-19/h5,10-11,15,17-18,23H,3-4,6-9,12-14,16H2,1-2H3/t17-,21+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by displacement of [3H]-EKC in guinea pig cortical tissue


J Med Chem 36: 2842-50 (1993)


BindingDB Entry DOI: 10.7270/Q2R78D9W
More data for this
Ligand-Target Pair