BDBM319938 3-[(2- Methylpyridin- 4-yl)oxy]-5- (5-methyl- 1,3-thiazol-2- yl)-N-{(1R)-1- [6- (trifluorometh- yl)pyridazin- 3- yl]ethyl} benzamide::US10174016, Example 105::US10202369, Example 105::US10472354, Example 105

SMILES: C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F

InChI Key: InChIKey=DZQXNDYGTRQHHO-OAHLLOKOSA-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 = 319938   

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))	BDBM319938 (3-[(2- Methylpyridin- 4-yl)oxy]-5- (5-methyl- 1,3-...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F3N5O2S/c1-13-8-18(6-7-28-13)34-19-10-16(9-17(11-19)23-29-12-14(2)35-23)22(33)30-15(3)20-4-5-21(32-31-20)24(25,26)27/h4-12,15H,1-3H3,(H,30,33)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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))	BDBM319938 (3-[(2- Methylpyridin- 4-yl)oxy]-5- (5-methyl- 1,3-...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F3N5O2S/c1-13-8-18(6-7-28-13)34-19-10-16(9-17(11-19)23-29-12-14(2)35-23)22(33)30-15(3)20-4-5-21(32-31-20)24(25,26)27/h4-12,15H,1-3H3,(H,30,33)/t15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	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))	BDBM319938 (3-[(2- Methylpyridin- 4-yl)oxy]-5- (5-methyl- 1,3-...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F3N5O2S/c1-13-8-18(6-7-28-13)34-19-10-16(9-17(11-19)23-29-12-14(2)35-23)22(33)30-15(3)20-4-5-21(32-31-20)24(25,26)27/h4-12,15H,1-3H3,(H,30,33)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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))	BDBM319938 (3-[(2- Methylpyridin- 4-yl)oxy]-5- (5-methyl- 1,3-...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F3N5O2S/c1-13-8-18(6-7-28-13)34-19-10-16(9-17(11-19)23-29-12-14(2)35-23)22(33)30-15(3)20-4-5-21(32-31-20)24(25,26)27/h4-12,15H,1-3H3,(H,30,33)/t15-/m1/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	39	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))	BDBM319938 (3-[(2- Methylpyridin- 4-yl)oxy]-5- (5-methyl- 1,3-...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F3N5O2S/c1-13-8-18(6-7-28-13)34-19-10-16(9-17(11-19)23-29-12-14(2)35-23)22(33)30-15(3)20-4-5-21(32-31-20)24(25,26)27/h4-12,15H,1-3H3,(H,30,33)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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))	BDBM319938 (3-[(2- Methylpyridin- 4-yl)oxy]-5- (5-methyl- 1,3-...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F3N5O2S/c1-13-8-18(6-7-28-13)34-19-10-16(9-17(11-19)23-29-12-14(2)35-23)22(33)30-15(3)20-4-5-21(32-31-20)24(25,26)27/h4-12,15H,1-3H3,(H,30,33)/t15-/m1/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	39	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))	BDBM319938 (3-[(2- Methylpyridin- 4-yl)oxy]-5- (5-methyl- 1,3-...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F3N5O2S/c1-13-8-18(6-7-28-13)34-19-10-16(9-17(11-19)23-29-12-14(2)35-23)22(33)30-15(3)20-4-5-21(32-31-20)24(25,26)27/h4-12,15H,1-3H3,(H,30,33)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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))	BDBM319938 (3-[(2- Methylpyridin- 4-yl)oxy]-5- (5-methyl- 1,3-...) Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r| Show InChI InChI=1S/C24H20F3N5O2S/c1-13-8-18(6-7-28-13)34-19-10-16(9-17(11-19)23-29-12-14(2)35-23)22(33)30-15(3)20-4-5-21(32-31-20)24(25,26)27/h4-12,15H,1-3H3,(H,30,33)/t15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	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