BindingDB logo
myBDB logout

BDBM50007373 2-(3,4-Dichloro-phenyl)-N-methyl-N-[1-(4-methylsulfanyl-phenyl)-2-pyrrolidin-1-yl-ethyl]-acetamide::CHEMBL110190

SMILES: CSc1ccc(cc1)C(CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=BHKMFILYWFYRAV-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50007373   
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


(Cavia porcellus (domestic guinea pig))		BDBM50007373
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-[1-(4-methylsul...)
Show SMILES CSc1ccc(cc1)C(CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H26Cl2N2OS/c1-25(22(27)14-16-5-10-19(23)20(24)13-16)21(15-26-11-3-4-12-26)17-6-8-18(28-2)9-7-17/h5-10,13,21H,3-4,11-12,14-15H2,1-2H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 124n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa in guinea pig brain membrane using [3H]bremazocine as the radioligand

J Med Chem 34: 3149-58 (1991)


BindingDB Entry DOI: 10.7270/Q2028S53
More data for this
Ligand-Target Pair