BindingDB logo
myBDB logout

BDBM50204536 CHEMBL3984105

SMILES: COc1ccc(OC)c(c1)-c1ccc(cc1)N(C)C(=O)c1ccncc1F

InChI Key: InChIKey=PSGHDWOVZICPFR-UHFFFAOYSA-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 = 50204536   
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 release-activated calcium channel


(Homo sapiens (Human))
BDBM50204536
PNG
(CHEMBL3984105)
Show SMILES COc1ccc(OC)c(c1)-c1ccc(cc1)N(C)C(=O)c1ccncc1F
Show InChI InChI=1S/C21H19FN2O3/c1-24(21(25)17-10-11-23-13-19(17)22)15-6-4-14(5-7-15)18-12-16(26-2)8-9-20(18)27-3/h4-13H,1-3H3
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1 (unknown origin) by patch clamp assay


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))
BDBM50204536
PNG
(CHEMBL3984105)
Show SMILES COc1ccc(OC)c(c1)-c1ccc(cc1)N(C)C(=O)c1ccncc1F
Show InChI InChI=1S/C21H19FN2O3/c1-24(21(25)17-10-11-23-13-19(17)22)15-6-4-14(5-7-15)18-12-16(26-2)8-9-20(18)27-3/h4-13H,1-3H3
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/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