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::US10202369, Example 65::US10472354, 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: 8 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 8 hits for monomerid = 319898   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM319898 (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 |r| 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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2028TNS
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (Homo sapiens (Human))	BDBM319898 (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 |r| 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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2028TNS
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM319898 (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 |r| 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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2GB264F
					More data for this Ligand-Target Pair
P2X2/3 (Homo sapiens (Human))	BDBM319898 (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 |r| 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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Aktiengesellschaft US Patent					Assay Description A fluorescent imaging plate reader (FILEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelat...				US Patent US10472354 (2019) BindingDB Entry DOI: 10.7270/Q2KD2197
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM319898 (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 |r| 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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/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 US10202369 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T2P
					More data for this Ligand-Target Pair
P2X2/3 (Homo sapiens (Human))	BDBM319898 (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 |r| 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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/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 US10202369 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T2P
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM319898 (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 |r| 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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Aktiengesellschaft US Patent					Assay Description A fluorescent imaging plate reader (FILEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelat...				US Patent US10472354 (2019) BindingDB Entry DOI: 10.7270/Q2KD2197
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (Homo sapiens (Human))	BDBM319898 (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 |r| 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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2GB264F
					More data for this Ligand-Target Pair