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BDBM50011701 CHEMBL3262895

SMILES: Brc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1

InChI Key: InChIKey=MNPPWOAWYZGUBL-FPYGCLRLSA-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 = 50011701   
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
G-protein coupled receptor 183


(Mus musculus)
BDBM50011701
PNG
(CHEMBL3262895)
Show SMILES Brc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C22H21BrN2O3/c23-19-5-1-16(2-6-19)3-8-21(26)24-10-12-25(13-11-24)22(27)18-4-7-20-17(15-18)9-14-28-20/h1-8,15H,9-14H2/b8-3+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011701
PNG
(CHEMBL3262895)
Show SMILES Brc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C22H21BrN2O3/c23-19-5-1-16(2-6-19)3-8-21(26)24-10-12-25(13-11-24)22(27)18-4-7-20-17(15-18)9-14-28-20/h1-8,15H,9-14H2/b8-3+
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair