BDBM320091 3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methylpyridazin-3- yl)ethyl]-5-[(3R)- tetrahydrofuran-3- ylmethoxy] benzamide::US10174016, Example 258::US10202369, Example 258::US10472354, Example 282

SMILES: CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1

InChI Key: InChIKey=CPQUPRVXRIYFHX-IAGOWNOFSA-N

Data: 10 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 10 hits for monomerid = 320091   

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))	BDBM320091 (3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r| Show InChI InChI=1S/C24H28N4O3S/c1-4-21-12-25-24(32-21)19-9-18(10-20(11-19)31-14-17-7-8-30-13-17)23(29)26-16(3)22-6-5-15(2)27-28-22/h5-6,9-12,16-17H,4,7-8,13-14H2,1-3H3,(H,26,29)/t16-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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))	BDBM320091 (3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r| Show InChI InChI=1S/C24H28N4O3S/c1-4-21-12-25-24(32-21)19-9-18(10-20(11-19)31-14-17-7-8-30-13-17)23(29)26-16(3)22-6-5-15(2)27-28-22/h5-6,9-12,16-17H,4,7-8,13-14H2,1-3H3,(H,26,29)/t16-,17-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	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))	BDBM320091 (3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r| Show InChI InChI=1S/C24H28N4O3S/c1-4-21-12-25-24(32-21)19-9-18(10-20(11-19)31-14-17-7-8-30-13-17)23(29)26-16(3)22-6-5-15(2)27-28-22/h5-6,9-12,16-17H,4,7-8,13-14H2,1-3H3,(H,26,29)/t16-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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
P2X purinoceptor 2 (Homo sapiens (Human))	BDBM320091 (3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r| Show InChI InChI=1S/C24H28N4O3S/c1-4-21-12-25-24(32-21)19-9-18(10-20(11-19)31-14-17-7-8-30-13-17)23(29)26-16(3)22-6-5-15(2)27-28-22/h5-6,9-12,16-17H,4,7-8,13-14H2,1-3H3,(H,26,29)/t16-,17-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	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))	BDBM320091 (3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r| Show InChI InChI=1S/C24H28N4O3S/c1-4-21-12-25-24(32-21)19-9-18(10-20(11-19)31-14-17-7-8-30-13-17)23(29)26-16(3)22-6-5-15(2)27-28-22/h5-6,9-12,16-17H,4,7-8,13-14H2,1-3H3,(H,26,29)/t16-,17-/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	209	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
P2X2/3 (Homo sapiens (Human))	BDBM320091 (3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r| Show InChI InChI=1S/C24H28N4O3S/c1-4-21-12-25-24(32-21)19-9-18(10-20(11-19)31-14-17-7-8-30-13-17)23(29)26-16(3)22-6-5-15(2)27-28-22/h5-6,9-12,16-17H,4,7-8,13-14H2,1-3H3,(H,26,29)/t16-,17-/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	38	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))	BDBM320091 (3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r| Show InChI InChI=1S/C24H28N4O3S/c1-4-21-12-25-24(32-21)19-9-18(10-20(11-19)31-14-17-7-8-30-13-17)23(29)26-16(3)22-6-5-15(2)27-28-22/h5-6,9-12,16-17H,4,7-8,13-14H2,1-3H3,(H,26,29)/t16-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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
P2X2/3 (Homo sapiens (Human))	BDBM320091 (3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r| Show InChI InChI=1S/C24H28N4O3S/c1-4-21-12-25-24(32-21)19-9-18(10-20(11-19)31-14-17-7-8-30-13-17)23(29)26-16(3)22-6-5-15(2)27-28-22/h5-6,9-12,16-17H,4,7-8,13-14H2,1-3H3,(H,26,29)/t16-,17-/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	38	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))	BDBM320091 (3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r| Show InChI InChI=1S/C24H28N4O3S/c1-4-21-12-25-24(32-21)19-9-18(10-20(11-19)31-14-17-7-8-30-13-17)23(29)26-16(3)22-6-5-15(2)27-28-22/h5-6,9-12,16-17H,4,7-8,13-14H2,1-3H3,(H,26,29)/t16-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	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))	BDBM320091 (3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...) Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r| Show InChI InChI=1S/C24H28N4O3S/c1-4-21-12-25-24(32-21)19-9-18(10-20(11-19)31-14-17-7-8-30-13-17)23(29)26-16(3)22-6-5-15(2)27-28-22/h5-6,9-12,16-17H,4,7-8,13-14H2,1-3H3,(H,26,29)/t16-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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