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BDBM50432117 CHEMBL2349605

SMILES: O=C(Nc1cccc(c1)-c1nccs1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1

InChI Key: InChIKey=GKMRQEBIZLWROE-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50432117   
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))		BDBM50432117
PNG
(CHEMBL2349605)
Show SMILES O=C(Nc1cccc(c1)-c1nccs1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
Show InChI InChI=1S/C31H34N4O2S/c36-31(33-28-13-7-12-27(24-28)30-32-15-23-38-30)35(18-17-34-19-21-37-22-20-34)16-14-29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-13,15,23-24,29H,14,16-22H2,(H,33,36)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 300n/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