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BDBM50432126 CHEMBL2349596

SMILES: O=C(Nc1cccc(c1)C#N)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1

InChI Key: InChIKey=AAEWZXWSKLYDSE-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50432126   
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
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50432126
PNG
(CHEMBL2349596)
Show SMILES O=C(Nc1cccc(c1)C#N)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
Show InChI InChI=1S/C29H32N4O2/c30-23-24-8-7-13-27(22-24)31-29(34)33(17-16-32-18-20-35-21-19-32)15-14-28(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-13,22,28H,14-21H2,(H,31,34)
PDB

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 800n/an/an/an/a



Galapagos SASU

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CaSR transfected in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 2451-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.078
BindingDB Entry DOI: 10.7270/Q2930VJZ
More data for this
Ligand-Target Pair