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BDBM50035474 CHEMBL48344::N-[1-(4-Amino-phenyl)-2-pyrrolidin-1-yl-ethyl]-2-(3,4-dichloro-phenyl)-N-methyl-acetamide

SMILES: CN(C(CN1CCCC1)c1ccc(N)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=LIIDBNSZSIVLLR-UHFFFAOYSA-N

Data: 2 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 = 50035474   
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


(Mus musculus (Mouse))
BDBM50035474
PNG
(CHEMBL48344 | N-[1-(4-Amino-phenyl)-2-pyrrolidin-1...)
Show SMILES CN(C(CN1CCCC1)c1ccc(N)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H25Cl2N3O/c1-25(21(27)13-15-4-9-18(22)19(23)12-15)20(14-26-10-2-3-11-26)16-5-7-17(24)8-6-16/h4-9,12,20H,2-3,10-11,13-14,24H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated mouse vas deferens (MVD) preparation.


J Med Chem 39: 1729-35 (1996)


Article DOI: 10.1021/jm950813b
BindingDB Entry DOI: 10.7270/Q27S7PFG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50035474
PNG
(CHEMBL48344 | N-[1-(4-Amino-phenyl)-2-pyrrolidin-1...)
Show SMILES CN(C(CN1CCCC1)c1ccc(N)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H25Cl2N3O/c1-25(21(27)13-15-4-9-18(22)19(23)12-15)20(14-26-10-2-3-11-26)16-5-7-17(24)8-6-16/h4-9,12,20H,2-3,10-11,13-14,24H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.650n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated guinea pig longitudinal ileal muscle (GPI) preparation.


J Med Chem 39: 1729-35 (1996)


Article DOI: 10.1021/jm950813b
BindingDB Entry DOI: 10.7270/Q27S7PFG
More data for this
Ligand-Target Pair