BindingDB logo
myBDB logout

null

SMILES: Clc1ccc(CC(=O)N2CCc3occc3C2CN2CCC=CC2)cc1Cl

InChI Key: InChIKey=FHBKJHTVSFYHEK-UHFFFAOYSA-N

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 1 hit for monomerid = 50039097   
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
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50039097
PNG
(2-(3,4-Dichloro-phenyl)-1-[4-(3,6-dihydro-2H-pyrid...)
Show SMILES Clc1ccc(CC(=O)N2CCc3occc3C2CN2CCC=CC2)cc1Cl |c:23|
Show InChI InChI=1S/C21H22Cl2N2O2/c22-17-5-4-15(12-18(17)23)13-21(26)25-10-6-20-16(7-11-27-20)19(25)14-24-8-2-1-3-9-24/h1-2,4-5,7,11-12,19H,3,6,8-10,13-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
In vitro kappa-opioid receptor agonist activity in isolated rabbit vas deferens assay

J Med Chem 37: 2138-44 (1994)


BindingDB Entry DOI: 10.7270/Q2668C78
More data for this
Ligand-Target Pair