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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Calcium release-activated calcium channel' and Ligand = 'BDBM50204538'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50204538
PNG
(CHEMBL3913392)
Show SMILES COc1ccc(CCCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H28N2O3/c1-26-21-10-6-19(7-11-21)5-3-4-16-28-23(17-25-15-14-24-18-25)20-8-12-22(27-2)13-9-20/h6-15,18,23H,3-5,16-17H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction of SERCA inhibition-induced ER release preincu...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
BindingDB Entry DOI: 10.7270/Q2HT2R9F
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50204538
PNG
(CHEMBL3913392)
Show SMILES COc1ccc(CCCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H28N2O3/c1-26-21-10-6-19(7-11-21)5-3-4-16-28-23(17-25-15-14-24-18-25)20-8-12-22(27-2)13-9-20/h6-15,18,23H,3-5,16-17H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.70E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction in BAPTA-induced Ca2+ depletion-stimulated SOC...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
BindingDB Entry DOI: 10.7270/Q2HT2R9F
More data for this
Ligand-Target Pair