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BDBM319898 N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (5-methyL- 1,3-thiazol-2- yl)-5-[(3S)- tetrahydrofuran- 3-ylmethoxy] benzamide::US10174016, Example 65

SMILES: CC(NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F

InChI Key: InChIKey=NHGFOVVSFOISFI-LOACHALJSA-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 = 319898   
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))
BDBM319898
PNG
(N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...)
Show SMILES CC(NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
Show InChI InChI=1S/C23H23ClFN3O3S/c1-13-9-27-23(32-13)17-5-16(6-19(7-17)31-12-15-3-4-30-11-15)22(29)28-14(2)21-20(25)8-18(24)10-26-21/h5-10,14-15H,3-4,11-12H2,1-2H3,(H,28,29)/t14?,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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)
BDBM319898
PNG
(N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...)
Show SMILES CC(NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
Show InChI InChI=1S/C23H23ClFN3O3S/c1-13-9-27-23(32-13)17-5-16(6-19(7-17)31-12-15-3-4-30-11-15)22(29)28-14(2)21-20(25)8-18(24)10-26-21/h5-10,14-15H,3-4,11-12H2,1-2H3,(H,28,29)/t14?,15-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 54n/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))
BDBM319898
PNG
(N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...)
Show SMILES CC(NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
Show InChI InChI=1S/C23H23ClFN3O3S/c1-13-9-27-23(32-13)17-5-16(6-19(7-17)31-12-15-3-4-30-11-15)22(29)28-14(2)21-20(25)8-18(24)10-26-21/h5-10,14-15H,3-4,11-12H2,1-2H3,(H,28,29)/t14?,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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)
BDBM319898
PNG
(N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...)
Show SMILES CC(NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
Show InChI InChI=1S/C23H23ClFN3O3S/c1-13-9-27-23(32-13)17-5-16(6-19(7-17)31-12-15-3-4-30-11-15)22(29)28-14(2)21-20(25)8-18(24)10-26-21/h5-10,14-15H,3-4,11-12H2,1-2H3,(H,28,29)/t14?,15-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 54n/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