BindingDB logo
myBDB logout

BDBM141421 US10668051, Compound Example 78::US8921364, 78

SMILES: Cc1ncsc1NC(=O)c1ccc(cc1)-n1nc(cc1C1CC1)C(F)(F)F

InChI Key: InChIKey=KFLALJIMRGRRSE-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 = 141421   
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))
BDBM141421
PNG
(US10668051, Compound Example 78 | US8921364, 78)
Show SMILES Cc1ncsc1NC(=O)c1ccc(cc1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N4OS/c1-10-17(27-9-22-10)23-16(26)12-4-6-13(7-5-12)25-14(11-2-3-11)8-15(24-25)18(19,20)21/h4-9,11H,2-3H2,1H3,(H,23,26)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 34.1n/an/an/an/an/an/a



RHIZEN PHARMACEUTICALS SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat #T9033) induced endoplasmic calcium release in Jurkat cells, (see Yasur...


US Patent US10668051 (2020)

More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141421
PNG
(US10668051, Compound Example 78 | US8921364, 78)
Show SMILES Cc1ncsc1NC(=O)c1ccc(cc1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N4OS/c1-10-17(27-9-22-10)23-16(26)12-4-6-13(7-5-12)25-14(11-2-3-11)8-15(24-25)18(19,20)21/h4-9,11H,2-3H2,1H3,(H,23,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 34.1n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair