BindingDB logo
myBDB logout

BDBM50241425 2-((3,4-dichlorophenyl)(methyl)amino)-1-(2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone::CHEMBL254154

SMILES: CN(CC(=O)N1CCCCC1CN1CCCC1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=XHZAKZVOUFLKSH-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50241425   
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
Urotensin II receptor


(Homo sapiens (Human))
BDBM50241425
PNG
(2-((3,4-dichlorophenyl)(methyl)amino)-1-(2-(pyrrol...)
Show SMILES CN(CC(=O)N1CCCCC1CN1CCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H27Cl2N3O/c1-22(15-7-8-17(20)18(21)12-15)14-19(25)24-11-3-2-6-16(24)13-23-9-4-5-10-23/h7-8,12,16H,2-6,9-11,13-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant urotensin 2 receptor-mediated calcium mobilization expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 18: 2860-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.078
BindingDB Entry DOI: 10.7270/Q29S1RXX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50241425
PNG
(2-((3,4-dichlorophenyl)(methyl)amino)-1-(2-(pyrrol...)
Show SMILES CN(CC(=O)N1CCCCC1CN1CCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H27Cl2N3O/c1-22(15-7-8-17(20)18(21)12-15)14-19(25)24-11-3-2-6-16(24)13-23-9-4-5-10-23/h7-8,12,16H,2-6,9-11,13-14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells by [35S]GTPgamma binding assay


Bioorg Med Chem Lett 18: 4470-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.067
BindingDB Entry DOI: 10.7270/Q2TH8MHF
More data for this
Ligand-Target Pair