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BDBM50432959 CHEMBL2377726

SMILES: O=C(Nc1cccnc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1

InChI Key: InChIKey=KWQYOYGXHUDXPO-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 = 50432959   
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))		BDBM50432959
PNG
(CHEMBL2377726)
Show SMILES O=C(Nc1cccnc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
Show InChI InChI=1S/C27H32N4O2/c32-27(29-25-12-7-14-28-22-25)31(17-16-30-18-20-33-21-19-30)15-13-26(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-12,14,22,26H,13,15-21H2,(H,29,32)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Galapagos SASU

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CaSR expressed in CHO cells assessed as increase in intracellular calcium level after 5 hrs by luciferase rep...

Bioorg Med Chem Lett 23: 2455-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.077
BindingDB Entry DOI: 10.7270/Q228090Q
More data for this
Ligand-Target Pair