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BDBM267163 2-chloro-N-{2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl}-5-(5-fluoropyrimidin-2-yl)benzamide::US9718812, 102

SMILES: FC(F)c1ncsc1C(CNC(=O)c1cc(ccc1Cl)-c1ncc(F)cn1)N1CCC(F)(F)CC1

InChI Key: InChIKey=KEEBURMJPGBOJX-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 = 267163   
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
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267163
PNG
(2-chloro-N-{2-[4-(difluoromethyl)-1,3-thiazol-5-yl...)
Show SMILES FC(F)c1ncsc1C(CNC(=O)c1cc(ccc1Cl)-c1ncc(F)cn1)N1CCC(F)(F)CC1
Show InChI InChI=1S/C22H19ClF5N5OS/c23-15-2-1-12(20-29-8-13(24)9-30-20)7-14(15)21(34)31-10-16(18-17(19(25)26)32-11-35-18)33-5-3-22(27,28)4-6-33/h1-2,7-9,11,16,19H,3-6,10H2,(H,31,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 34n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267163
PNG
(2-chloro-N-{2-[4-(difluoromethyl)-1,3-thiazol-5-yl...)
Show SMILES FC(F)c1ncsc1C(CNC(=O)c1cc(ccc1Cl)-c1ncc(F)cn1)N1CCC(F)(F)CC1
Show InChI InChI=1S/C22H19ClF5N5OS/c23-15-2-1-12(20-29-8-13(24)9-30-20)7-14(15)21(34)31-10-16(18-17(19(25)26)32-11-35-18)33-5-3-22(27,28)4-6-33/h1-2,7-9,11,16,19H,3-6,10H2,(H,31,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 60n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair