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BDBM50006997 3,4-Dichloro-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydro-naphthalen-1-yl)-benzamide::CHEMBL55705

SMILES: CN([C@H]1[C@@H](CCc2ccccc12)N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=DSSWVGRPTVOTMX-NHCUHLMSSA-N

Data: 1 KI  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 2 hits for monomerid = 50006997   
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 (KOR)


(Mus musculus (Mouse))
BDBM50006997
PNG
(3,4-Dichloro-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4...)
Show SMILES CN([C@H]1[C@@H](CCc2ccccc12)N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H24Cl2N2O/c1-25(22(27)16-8-10-18(23)19(24)14-16)21-17-7-3-2-6-15(17)9-11-20(21)26-12-4-5-13-26/h2-3,6-8,10,14,20-21H,4-5,9,11-13H2,1H3/t20-,21-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 368n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa using [3H]U-69,593 as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50006997
PNG
(3,4-Dichloro-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4...)
Show SMILES CN([C@H]1[C@@H](CCc2ccccc12)N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H24Cl2N2O/c1-25(22(27)16-8-10-18(23)19(24)14-16)21-17-7-3-2-6-15(17)9-11-20(21)26-12-4-5-13-26/h2-3,6-8,10,14,20-21H,4-5,9,11-13H2,1H3/t20-,21-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair