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BDBM319839 N-[1-(5-Chloro-3-fluoropyridin-2-yl)ethyl]-3-(cyclopropylmethoxy)-5-(5-methyl-1,3-thiazol-2-yl)benzamide::US10174016, Example 6

SMILES: CC(NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F

InChI Key: InChIKey=YIPUFXDTAKNGSX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 319839   
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 3


(Homo sapiens (human))
BDBM319839
PNG
(N-[1-(5-Chloro-3-fluoropyridin-2-yl)ethyl]-3-(cycl...)
Show SMILES CC(NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
Show InChI InChI=1S/C22H21ClFN3O2S/c1-12-9-26-22(30-12)16-5-15(6-18(7-16)29-11-14-3-4-14)21(28)27-13(2)20-19(24)8-17(23)10-25-20/h5-10,13-14H,3-4,11H2,1-2H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 2


(HUMAN)
BDBM319839
PNG
(N-[1-(5-Chloro-3-fluoropyridin-2-yl)ethyl]-3-(cycl...)
Show SMILES CC(NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
Show InChI InChI=1S/C22H21ClFN3O2S/c1-12-9-26-22(30-12)16-5-15(6-18(7-16)29-11-14-3-4-14)21(28)27-13(2)20-19(24)8-17(23)10-25-20/h5-10,13-14H,3-4,11H2,1-2H3,(H,27,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 38n/an/an/an/an/an/a



BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM319839
PNG
(N-[1-(5-Chloro-3-fluoropyridin-2-yl)ethyl]-3-(cycl...)
Show SMILES CC(NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
Show InChI InChI=1S/C22H21ClFN3O2S/c1-12-9-26-22(30-12)16-5-15(6-18(7-16)29-11-14-3-4-14)21(28)27-13(2)20-19(24)8-17(23)10-25-20/h5-10,13-14H,3-4,11H2,1-2H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 2


(HUMAN)
BDBM319839
PNG
(N-[1-(5-Chloro-3-fluoropyridin-2-yl)ethyl]-3-(cycl...)
Show SMILES CC(NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
Show InChI InChI=1S/C22H21ClFN3O2S/c1-12-9-26-22(30-12)16-5-15(6-18(7-16)29-11-14-3-4-14)21(28)27-13(2)20-19(24)8-17(23)10-25-20/h5-10,13-14H,3-4,11H2,1-2H3,(H,27,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 38n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)

More data for this
Ligand-Target Pair