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Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'horrillo' and Initial = 'r'   
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 protein 1


(Homo sapiens (Human))
BDBM50064638
PNG
(CHEMBL3403744)
Show SMILES Cn1nc(cc1-c1cnc2[nH]c(cc2c1)-c1c(F)cccc1Cl)C(F)(F)F
Show InChI InChI=1S/C18H11ClF4N4/c1-27-14(7-15(26-27)18(21,22)23)10-5-9-6-13(25-17(9)24-8-10)16-11(19)3-2-4-12(16)20/h2-8H,1H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a<100n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Orai1/STIM1 expressed in HEK293 cells assessed as inhibition of channel-mediated calcium current by electrophysiology assay in pr...


Bioorg Med Chem Lett 25: 1217-22 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.063
BindingDB Entry DOI: 10.7270/Q2KW5HQC
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel protein 1


(Homo sapiens (Human))
BDBM50064639
PNG
(CHEMBL3403751)
Show SMILES COc1cc(C)c(cn1)-c1cnc2[nH]c(cc2c1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C20H15ClFN3O/c1-11-6-18(26-2)23-10-14(11)13-7-12-8-17(25-20(12)24-9-13)19-15(21)4-3-5-16(19)22/h3-10H,1-2H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 104n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Orai1/STIM1 expressed in HEK293 cells assessed as inhibition of channel-mediated calcium current by electrophysiology assay in pr...


Bioorg Med Chem Lett 25: 1217-22 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.063
BindingDB Entry DOI: 10.7270/Q2KW5HQC
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel protein 1


(Homo sapiens (Human))
BDBM50064640
PNG
(CHEMBL3403753)
Show SMILES COc1cc(OC)c(cn1)-c1cnc2[nH]c(cc2c1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C20H15ClFN3O2/c1-26-17-8-18(27-2)23-10-13(17)12-6-11-7-16(25-20(11)24-9-12)19-14(21)4-3-5-15(19)22/h3-10H,1-2H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Orai1/STIM1 expressed in HEK293 cells assessed as inhibition of channel-mediated calcium current by electrophysiology assay in pr...


Bioorg Med Chem Lett 25: 1217-22 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.063
BindingDB Entry DOI: 10.7270/Q2KW5HQC
More data for this
Ligand-Target Pair