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BDBM50007166 2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl-4,7-dihydro-5H-thieno[2,3-c]pyridin-6-yl)-ethanone;HCl::CHEMBL88168

SMILES: Clc1ccc(CC(=O)N2CCc3ccsc3C2CN2CCCC2)cc1Cl

InChI Key: InChIKey=UFRFKPDRMYNUAU-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50007166   
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))
BDBM50007166
PNG
(2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3ccsc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C20H22Cl2N2OS/c21-16-4-3-14(11-17(16)22)12-19(25)24-9-5-15-6-10-26-20(15)18(24)13-23-7-1-2-8-23/h3-4,6,10-11,18H,1-2,5,7-9,12-13H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.460n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50007166
PNG
(2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3ccsc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C20H22Cl2N2OS/c21-16-4-3-14(11-17(16)22)12-19(25)24-9-5-15-6-10-26-20(15)18(24)13-23-7-1-2-8-23/h3-4,6,10-11,18H,1-2,5,7-9,12-13H2
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
47n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50007166
PNG
(2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3ccsc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C20H22Cl2N2OS/c21-16-4-3-14(11-17(16)22)12-19(25)24-9-5-15-6-10-26-20(15)18(24)13-23-7-1-2-8-23/h3-4,6,10-11,18H,1-2,5,7-9,12-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
362n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor delta sites


J Med Chem 34: 2624-33 (1991)


BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair