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BDBM50011727 CHEMBL3262885

SMILES: COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)C(F)(F)F)cc1

InChI Key: InChIKey=IJDOLSDVADCVOO-NYYWCZLTSA-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 = 50011727   
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)
BDBM50011727
PNG
(CHEMBL3262885)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H21F3N2O3/c1-30-19-9-2-16(3-10-19)4-11-20(28)26-12-14-27(15-13-26)21(29)17-5-7-18(8-6-17)22(23,24)25/h2-11H,12-15H2,1H3/b11-4+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 81n/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))
BDBM50011727
PNG
(CHEMBL3262885)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H21F3N2O3/c1-30-19-9-2-16(3-10-19)4-11-20(28)26-12-14-27(15-13-26)21(29)17-5-7-18(8-6-17)22(23,24)25/h2-11H,12-15H2,1H3/b11-4+
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 98n/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