Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'henault' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50302101 (3-(2-(2-ethyl-2-phenylhydrazinyl)-3,4-dioxocyclobu...) Show SMILES CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 Show InChI InChI=1S/C21H22N4O4/c1-4-25(13-9-6-5-7-10-13)23-17-16(19(27)20(17)28)22-15-12-8-11-14(18(15)26)21(29)24(2)3/h5-12,22-23,26H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human CXCR2 expressed in mouse BaF3 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50302098 (3-(2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobut-1-e...) Show SMILES CCN(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O Show InChI InChI=1S/C17H22N4O4/c1-5-21(6-2)19-13-12(15(23)16(13)24)18-11-9-7-8-10(14(11)22)17(25)20(3)4/h7-9,18-19,22H,5-6H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human CXCR2 expressed in mouse BaF3 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50302104 (3-(2-(2-ethyl-2-(pyridin-2-yl)hydrazinyl)-3,4-diox...) Show SMILES CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccn1 Show InChI InChI=1S/C20H21N5O4/c1-4-25(14-10-5-6-11-21-14)23-16-15(18(27)19(16)28)22-13-9-7-8-12(17(13)26)20(29)24(2)3/h5-11,22-23,26H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human CXCR2 expressed in mouse BaF3 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50302103 (3-(2-(2-ethyl-2-(4-methoxyphenyl)hydrazinyl)-3,4-d...) Show SMILES CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H24N4O5/c1-5-26(13-9-11-14(31-4)12-10-13)24-18-17(20(28)21(18)29)23-16-8-6-7-15(19(16)27)22(30)25(2)3/h6-12,23-24,27H,5H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human CXCR2 expressed in mouse BaF3 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50302106 (3-(2-(2-ethyl-2-(4-fluorobenzoyl)hydrazinyl)-3,4-d...) Show SMILES CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C22H21FN4O5/c1-4-27(21(31)12-8-10-13(23)11-9-12)25-17-16(19(29)20(17)30)24-15-7-5-6-14(18(15)28)22(32)26(2)3/h5-11,24-25,28H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human CXCR2 expressed in mouse BaF3 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50302100 (3-(2-(2-acetyl-2-ethylhydrazinyl)-3,4-dioxocyclobu...) Show SMILES CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)=O Show InChI InChI=1S/C17H20N4O5/c1-5-21(9(2)22)19-13-12(15(24)16(13)25)18-11-8-6-7-10(14(11)23)17(26)20(3)4/h6-8,18-19,23H,5H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human CXCR2 expressed in mouse BaF3 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50302102 (3-(2-(2-ethyl-2-(4-fluorophenyl)hydrazinyl)-3,4-di...) Show SMILES CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H21FN4O4/c1-4-26(13-10-8-12(22)9-11-13)24-17-16(19(28)20(17)29)23-15-7-5-6-14(18(15)27)21(30)25(2)3/h5-11,23-24,27H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human CXCR2 expressed in mouse BaF3 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50302101 (3-(2-(2-ethyl-2-phenylhydrazinyl)-3,4-dioxocyclobu...) Show SMILES CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 Show InChI InChI=1S/C21H22N4O4/c1-4-25(13-9-6-5-7-10-13)23-17-16(19(27)20(17)28)22-15-12-8-11-14(18(15)26)21(29)24(2)3/h5-12,22-23,26H,4H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human CXCR1 expressed in mouse BaF3 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50302104 (3-(2-(2-ethyl-2-(pyridin-2-yl)hydrazinyl)-3,4-diox...) Show SMILES CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccn1 Show InChI InChI=1S/C20H21N5O4/c1-4-25(14-10-5-6-11-21-14)23-16-15(18(27)19(16)28)22-13-9-7-8-12(17(13)26)20(29)24(2)3/h5-11,22-23,26H,4H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human CXCR1 expressed in mouse BaF3 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50302103 (3-(2-(2-ethyl-2-(4-methoxyphenyl)hydrazinyl)-3,4-d...) Show SMILES CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H24N4O5/c1-5-26(13-9-11-14(31-4)12-10-13)24-18-17(20(28)21(18)29)23-16-8-6-7-15(19(16)27)22(30)25(2)3/h6-12,23-24,27H,5H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human CXCR1 expressed in mouse BaF3 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50302105 (3-(2-(2-ethyl-2-(4-fluorobenzyl)hydrazinyl)-3,4-di...) Show SMILES CCN(Cc1ccc(F)cc1)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O Show InChI InChI=1S/C22H23FN4O4/c1-4-27(12-13-8-10-14(23)11-9-13)25-18-17(20(29)21(18)30)24-16-7-5-6-15(19(16)28)22(31)26(2)3/h5-11,24-25,28H,4,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human CXCR2 expressed in mouse BaF3 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50302098 (3-(2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobut-1-e...) Show SMILES CCN(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O Show InChI InChI=1S/C17H22N4O4/c1-5-21(6-2)19-13-12(15(23)16(13)24)18-11-9-7-8-10(14(11)22)17(25)20(3)4/h7-9,18-19,22H,5-6H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human CXCR1 expressed in mouse BaF3 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50302106 (3-(2-(2-ethyl-2-(4-fluorobenzoyl)hydrazinyl)-3,4-d...) Show SMILES CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C22H21FN4O5/c1-4-27(21(31)12-8-10-13(23)11-9-12)25-17-16(19(29)20(17)30)24-15-7-5-6-14(18(15)28)22(32)26(2)3/h5-11,24-25,28H,4H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human CXCR1 expressed in mouse BaF3 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50302100 (3-(2-(2-acetyl-2-ethylhydrazinyl)-3,4-dioxocyclobu...) Show SMILES CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)=O Show InChI InChI=1S/C17H20N4O5/c1-5-21(9(2)22)19-13-12(15(24)16(13)25)18-11-8-6-7-10(14(11)23)17(26)20(3)4/h6-8,18-19,23H,5H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human CXCR1 expressed in mouse BaF3 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50302102 (3-(2-(2-ethyl-2-(4-fluorophenyl)hydrazinyl)-3,4-di...) Show SMILES CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H21FN4O4/c1-4-26(13-10-8-12(22)9-11-13)24-17-16(19(28)20(17)29)23-15-7-5-6-14(18(15)27)21(30)25(2)3/h5-11,23-24,27H,4H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human CXCR1 expressed in mouse BaF3 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50302105 (3-(2-(2-ethyl-2-(4-fluorobenzyl)hydrazinyl)-3,4-di...) Show SMILES CCN(Cc1ccc(F)cc1)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O Show InChI InChI=1S/C22H23FN4O4/c1-4-27(12-13-8-10-14(23)11-9-13)25-18-17(20(29)21(18)30)24-16-7-5-6-15(19(16)28)22(31)26(2)3/h5-11,24-25,28H,4,12H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]IL-8 from human CXCR1 expressed in mouse BaF3 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Mus musculus)	BDBM50343131 (2-(2-cyanopyrimidin-5-yl)-N-(3-ethylphenyl)-4-o-to...) Show SMILES CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2cnc(nc2)C#N)c1 Show InChI InChI=1S/C28H25N7O/c1-3-19-8-6-9-21(13-19)32-28(36)35-12-11-24-23(17-35)26(22-10-5-4-7-18(22)2)34-27(33-24)20-15-30-25(14-29)31-16-20/h4-10,13,15-16H,3,11-12,17H2,1-2H3,(H,32,36)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y14 expressed in human HEK cells coexpressing Galphai5 assessed as inhibition of UDP-glucose stimulated calcium releas...				Bioorg Med Chem Lett 21: 2832-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.084 BindingDB Entry DOI: 10.7270/Q20865N7
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Mus musculus)	BDBM50343129 (2-(4-cyanopyridin-3-yl)-N-(3-ethylphenyl)-4-o-toly...) Show SMILES CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2cnccc2C#N)c1 Show InChI InChI=1S/C29H26N6O/c1-3-20-8-6-9-22(15-20)32-29(36)35-14-12-26-25(18-35)27(23-10-5-4-7-19(23)2)34-28(33-26)24-17-31-13-11-21(24)16-30/h4-11,13,15,17H,3,12,14,18H2,1-2H3,(H,32,36)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y14 expressed in human HEK cells coexpressing Galphai5 assessed as inhibition of UDP-glucose stimulated calcium releas...				Bioorg Med Chem Lett 21: 2832-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.084 BindingDB Entry DOI: 10.7270/Q20865N7
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Mus musculus)	BDBM50343132 (2-(3,5-dimethylisoxazol-4-yl)-N-(3-ethylphenyl)-4-...) Show SMILES CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2c(C)noc2C)c1 Show InChI InChI=1S/C28H29N5O2/c1-5-20-10-8-11-21(15-20)29-28(34)33-14-13-24-23(16-33)26(22-12-7-6-9-17(22)2)31-27(30-24)25-18(3)32-35-19(25)4/h6-12,15H,5,13-14,16H2,1-4H3,(H,29,34)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y14 expressed in human HEK cells coexpressing Galphai5 assessed as inhibition of UDP-glucose stimulated calcium releas...				Bioorg Med Chem Lett 21: 2832-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.084 BindingDB Entry DOI: 10.7270/Q20865N7
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50322836 (CHEMBL1210244 | rac-N-(3-methyl-1-(piperidin-1-yl)...) Show SMILES CCC(C)(CCN1CCCCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 Show InChI InChI=1S/C29H43N3O2/c1-4-29(2,17-20-31-18-11-6-12-19-31)32(28(34)23-13-7-5-8-14-23)22-25-21-24-15-9-10-16-26(24)30(3)27(25)33/h9-10,15-16,21,23H,4-8,11-14,17-20,22H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4700-3 (2010) Article DOI: 10.1016/j.bmcl.2010.04.143 BindingDB Entry DOI: 10.7270/Q2PR7W6H
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Mus musculus)	BDBM50343120 (4-(2,6-dimethylphenyl)-N-(3-ethylphenyl)-2-(pyridi...) Show SMILES CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2c(C)cccc2C)-c2cccnc2)c1 |(10.19,-.57,;8.86,.2,;7.53,-.58,;7.53,-2.13,;6.2,-2.9,;4.86,-2.13,;4.87,-.59,;3.53,.18,;2.2,-.59,;2.2,-2.13,;.87,.18,;.86,1.73,;-.48,2.51,;-1.81,1.73,;-3.15,2.49,;-4.47,1.72,;-4.47,.18,;-3.14,-.59,;-1.81,.18,;-.48,-.59,;-3.14,-2.12,;-4.47,-2.89,;-5.81,-2.12,;-4.47,-4.43,;-3.13,-5.2,;-1.8,-4.42,;-1.81,-2.89,;-.47,-2.11,;-5.8,2.49,;-7.14,1.71,;-8.47,2.48,;-8.47,4.03,;-7.14,4.8,;-5.81,4.04,;6.19,.19,)| Show InChI InChI=1S/C29H29N5O/c1-4-21-10-6-12-23(16-21)31-29(35)34-15-13-25-24(18-34)27(26-19(2)8-5-9-20(26)3)33-28(32-25)22-11-7-14-30-17-22/h5-12,14,16-17H,4,13,15,18H2,1-3H3,(H,31,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y14 expressed in human HEK cells coexpressing Galphai5 assessed as inhibition of UDP-glucose stimulated calcium releas...				Bioorg Med Chem Lett 21: 2832-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.084 BindingDB Entry DOI: 10.7270/Q20865N7
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Mus musculus)	BDBM50343128 (2-(benzo[d][1,3]dioxol-5-yl)-N-(3-ethylphenyl)-4-o...) Show SMILES CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C30H28N4O3/c1-3-20-8-6-9-22(15-20)31-30(35)34-14-13-25-24(17-34)28(23-10-5-4-7-19(23)2)33-29(32-25)21-11-12-26-27(16-21)37-18-36-26/h4-12,15-16H,3,13-14,17-18H2,1-2H3,(H,31,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y14 expressed in human HEK cells coexpressing Galphai5 assessed as inhibition of UDP-glucose stimulated calcium releas...				Bioorg Med Chem Lett 21: 2832-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.084 BindingDB Entry DOI: 10.7270/Q20865N7
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50322839 (CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...) Show SMILES CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 Show InChI InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4700-3 (2010) Article DOI: 10.1016/j.bmcl.2010.04.143 BindingDB Entry DOI: 10.7270/Q2PR7W6H
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Mus musculus)	BDBM50343130 (CHEMBL1771458 | N-(3-ethylphenyl)-2-(pyrimidin-5-y...) Show SMILES CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2cncnc2)c1 Show InChI InChI=1S/C27H26N6O/c1-3-19-8-6-9-21(13-19)30-27(34)33-12-11-24-23(16-33)25(22-10-5-4-7-18(22)2)32-26(31-24)20-14-28-17-29-15-20/h4-10,13-15,17H,3,11-12,16H2,1-2H3,(H,30,34)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y14 expressed in human HEK cells coexpressing Galphai5 assessed as inhibition of UDP-glucose stimulated calcium releas...				Bioorg Med Chem Lett 21: 2832-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.084 BindingDB Entry DOI: 10.7270/Q20865N7
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Mus musculus)	BDBM50343127 (CHEMBL1771455 | N-(3-ethylphenyl)-2-(quinolin-3-yl...) Show SMILES CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2cnc3ccccc3c2)c1 Show InChI InChI=1S/C32H29N5O/c1-3-22-10-8-12-25(17-22)34-32(38)37-16-15-29-27(20-37)30(26-13-6-4-9-21(26)2)36-31(35-29)24-18-23-11-5-7-14-28(23)33-19-24/h4-14,17-19H,3,15-16,20H2,1-2H3,(H,34,38)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y14 expressed in human HEK cells coexpressing Galphai5 assessed as inhibition of UDP-glucose stimulated calcium releas...				Bioorg Med Chem Lett 21: 2832-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.084 BindingDB Entry DOI: 10.7270/Q20865N7
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50322837 (CHEMBL1210311 | rac-N-(1-(4-fluoropiperidin-1-yl)-...) Show SMILES CCC(C)(CCN1CCC(F)CC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 Show InChI InChI=1S/C29H42FN3O2/c1-4-29(2,16-19-32-17-14-25(30)15-18-32)33(28(35)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-26(23)31(3)27(24)34/h8-9,12-13,20,22,25H,4-7,10-11,14-19,21H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4700-3 (2010) Article DOI: 10.1016/j.bmcl.2010.04.143 BindingDB Entry DOI: 10.7270/Q2PR7W6H
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Mus musculus)	BDBM50343094 (2-(4-cyanophenyl)-N-(3-ethylphenyl)-4-o-tolyl-7,8-...) Show SMILES CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C30H27N5O/c1-3-21-8-6-9-24(17-21)32-30(36)35-16-15-27-26(19-35)28(25-10-5-4-7-20(25)2)34-29(33-27)23-13-11-22(18-31)12-14-23/h4-14,17H,3,15-16,19H2,1-2H3,(H,32,36)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y14 expressed in human HEK cells coexpressing Galphai5 assessed as inhibition of UDP-glucose stimulated calcium releas...				Bioorg Med Chem Lett 21: 2832-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.084 BindingDB Entry DOI: 10.7270/Q20865N7
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50322842 (CHEMBL1210177 | N-((1-methyl-2-oxo-1,2-dihydroquin...) Show SMILES CN1CCN(CC1)C1(CN(Cc2cc3ccccc3n(C)c2=O)C(=O)C2CCCCC2)CCCCC1 Show InChI InChI=1S/C30H44N4O2/c1-31-17-19-34(20-18-31)30(15-9-4-10-16-30)23-33(29(36)24-11-5-3-6-12-24)22-26-21-25-13-7-8-14-27(25)32(2)28(26)35/h7-8,13-14,21,24H,3-6,9-12,15-20,22-23H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4700-3 (2010) Article DOI: 10.1016/j.bmcl.2010.04.143 BindingDB Entry DOI: 10.7270/Q2PR7W6H
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50322838 (CHEMBL1210312 | rac-N-(1-(4,4-difluoropiperidin-1-...) Show SMILES CCC(C)(CCN1CCC(F)(F)CC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 Show InChI InChI=1S/C29H41F2N3O2/c1-4-28(2,14-17-33-18-15-29(30,31)16-19-33)34(27(36)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)32(3)26(24)35/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4700-3 (2010) Article DOI: 10.1016/j.bmcl.2010.04.143 BindingDB Entry DOI: 10.7270/Q2PR7W6H
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50322839 (CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...) Show SMILES CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 Show InChI InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4700-3 (2010) Article DOI: 10.1016/j.bmcl.2010.04.143 BindingDB Entry DOI: 10.7270/Q2PR7W6H
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50322839 (CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...) Show SMILES CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 Show InChI InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4700-3 (2010) Article DOI: 10.1016/j.bmcl.2010.04.143 BindingDB Entry DOI: 10.7270/Q2PR7W6H
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Mus musculus)	BDBM50343095 (CHEMBL1771452 | N-(3-ethylphenyl)-2-(4-fluoropheny...) Show SMILES CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C29H27FN4O/c1-3-20-8-6-9-23(17-20)31-29(35)34-16-15-26-25(18-34)27(24-10-5-4-7-19(24)2)33-28(32-26)21-11-13-22(30)14-12-21/h4-14,17H,3,15-16,18H2,1-2H3,(H,31,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y14 expressed in human HEK cells coexpressing Galphai5 assessed as inhibition of UDP-glucose stimulated calcium releas...				Bioorg Med Chem Lett 21: 2832-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.084 BindingDB Entry DOI: 10.7270/Q20865N7
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Mus musculus)	BDBM50343109 (CHEMBL1771244 | N-(3-(1-fluoroethyl)phenyl)-2-(pyr...) Show SMILES CC(F)c1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2cccnc2)c1 Show InChI InChI=1S/C28H26FN5O/c1-18-7-3-4-11-23(18)26-24-17-34(28(35)31-22-10-5-8-20(15-22)19(2)29)14-12-25(24)32-27(33-26)21-9-6-13-30-16-21/h3-11,13,15-16,19H,12,14,17H2,1-2H3,(H,31,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y14 expressed in human HEK cells coexpressing Galphai5 assessed as inhibition of UDP-glucose stimulated calcium releas...				Bioorg Med Chem Lett 21: 2832-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.084 BindingDB Entry DOI: 10.7270/Q20865N7
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Mus musculus)	BDBM50343125 (CHEMBL1771453 | N-(3-ethylphenyl)-2-(3-fluoropheny...) Show SMILES CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2cccc(F)c2)c1 Show InChI InChI=1S/C29H27FN4O/c1-3-20-9-6-12-23(16-20)31-29(35)34-15-14-26-25(18-34)27(24-13-5-4-8-19(24)2)33-28(32-26)21-10-7-11-22(30)17-21/h4-13,16-17H,3,14-15,18H2,1-2H3,(H,31,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y14 expressed in human HEK cells coexpressing Galphai5 assessed as inhibition of UDP-glucose stimulated calcium releas...				Bioorg Med Chem Lett 21: 2832-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.084 BindingDB Entry DOI: 10.7270/Q20865N7
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50322834 (CHEMBL1210242 | N-((1-methyl-2-oxo-1,2-dihydroquin...) Show SMILES Cn1c2ccccc2cc(CN(C(=O)C2CCCCC2)C(C)(C)CCN2CCCCC2)c1=O Show InChI InChI=1S/C28H41N3O2/c1-28(2,16-19-30-17-10-5-11-18-30)31(27(33)22-12-6-4-7-13-22)21-24-20-23-14-8-9-15-25(23)29(3)26(24)32/h8-9,14-15,20,22H,4-7,10-13,16-19,21H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4700-3 (2010) Article DOI: 10.1016/j.bmcl.2010.04.143 BindingDB Entry DOI: 10.7270/Q2PR7W6H
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50348617 (CHEMBL1801361) Show SMILES CCN(CC)C(=O)CCC1(c2c(cccc2OC)-c2nccn12)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H26ClN3O2/c1-4-27(5-2)21(29)13-14-24(17-9-11-18(25)12-10-17)22-19(7-6-8-20(22)30-3)23-26-15-16-28(23)24/h6-12,15-16H,4-5,13-14H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4704-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.016 BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50348615 (CHEMBL1801359) Show SMILES COc1cccc2-c3nccn3C(CC3CCOCC3)(c12)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23ClN2O2/c1-27-20-4-2-3-19-21(20)23(26-12-11-25-22(19)26,15-16-9-13-28-14-10-16)17-5-7-18(24)8-6-17/h2-8,11-12,16H,9-10,13-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4704-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.016 BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50302098 (3-(2-(2,2-diethylhydrazinyl)-3,4-dioxocyclobut-1-e...) Show SMILES CCN(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O Show InChI InChI=1S/C17H22N4O4/c1-5-21(6-2)19-13-12(15(23)16(13)24)18-11-9-7-8-10(14(11)22)17(25)20(3)4/h7-9,18-19,22H,5-6H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity at CXCR2 expressed in CHO cells assessed as inhibition of IL-8-induced chemotaxis				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Mus musculus)	BDBM50343121 (4-(2-chloro-6-methylphenyl)-N-(3-ethylphenyl)-2-(p...) Show SMILES CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2c(C)cccc2Cl)-c2cccnc2)c1 |(33.06,-2.47,;31.72,-1.7,;30.39,-2.48,;30.4,-4.02,;29.06,-4.79,;27.73,-4.02,;27.73,-2.49,;26.4,-1.72,;25.07,-2.49,;25.07,-4.03,;23.73,-1.72,;23.73,-.17,;22.39,.61,;21.05,-.17,;19.72,.59,;18.39,-.18,;18.39,-1.72,;19.73,-2.49,;21.05,-1.72,;22.39,-2.49,;19.73,-4.02,;18.4,-4.79,;17.06,-4.02,;18.4,-6.33,;19.73,-7.1,;21.07,-6.32,;21.06,-4.78,;22.39,-4.01,;17.06,.59,;15.73,-.18,;14.39,.59,;14.39,2.13,;15.72,2.9,;17.06,2.14,;29.06,-1.71,)| Show InChI InChI=1S/C28H26ClN5O/c1-3-19-8-5-10-21(15-19)31-28(35)34-14-12-24-22(17-34)26(25-18(2)7-4-11-23(25)29)33-27(32-24)20-9-6-13-30-16-20/h4-11,13,15-16H,3,12,14,17H2,1-2H3,(H,31,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y14 expressed in human HEK cells coexpressing Galphai5 assessed as inhibition of UDP-glucose stimulated calcium releas...				Bioorg Med Chem Lett 21: 2832-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.084 BindingDB Entry DOI: 10.7270/Q20865N7
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50348616 (CHEMBL1801360) Show SMILES COc1ccc2-c3nccn3C(CCC(=O)N3[C@@H](C)CC[C@H]3C)(c2c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H28ClN3O2/c1-17-4-5-18(2)30(17)24(31)12-13-26(19-6-8-20(27)9-7-19)23-16-21(32-3)10-11-22(23)25-28-14-15-29(25)26/h6-11,14-18H,4-5,12-13H2,1-3H3/t17-,18+,26?	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4704-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.016 BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Mus musculus)	BDBM50343122 (4-(2,6-dichlorophenyl)-N-(3-ethylphenyl)-2-(pyridi...) Show SMILES CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2c(Cl)cccc2Cl)-c2cccnc2)c1 |(11.19,-15.22,;9.85,-14.45,;8.52,-15.23,;8.53,-16.78,;7.19,-17.55,;5.86,-16.78,;5.86,-15.24,;4.53,-14.47,;3.2,-15.24,;3.2,-16.78,;1.86,-14.47,;1.86,-12.92,;.52,-12.14,;-.82,-12.92,;-2.15,-12.16,;-3.48,-12.93,;-3.48,-14.48,;-2.15,-15.24,;-.82,-14.47,;.52,-15.24,;-2.14,-16.77,;-3.48,-17.54,;-4.81,-16.78,;-3.47,-19.08,;-2.14,-19.85,;-.8,-19.07,;-.81,-17.54,;.52,-16.76,;-4.81,-12.17,;-6.14,-12.94,;-7.48,-12.17,;-7.48,-10.62,;-6.15,-9.85,;-4.81,-10.62,;7.19,-14.47,)| Show InChI InChI=1S/C27H23Cl2N5O/c1-2-17-6-3-8-19(14-17)31-27(35)34-13-11-23-20(16-34)25(24-21(28)9-4-10-22(24)29)33-26(32-23)18-7-5-12-30-15-18/h3-10,12,14-15H,2,11,13,16H2,1H3,(H,31,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y14 expressed in human HEK cells coexpressing Galphai5 assessed as inhibition of UDP-glucose stimulated calcium releas...				Bioorg Med Chem Lett 21: 2832-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.084 BindingDB Entry DOI: 10.7270/Q20865N7
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50302101 (3-(2-(2-ethyl-2-phenylhydrazinyl)-3,4-dioxocyclobu...) Show SMILES CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 Show InChI InChI=1S/C21H22N4O4/c1-4-25(13-9-6-5-7-10-13)23-17-16(19(27)20(17)28)22-15-12-8-11-14(18(15)26)21(29)24(2)3/h5-12,22-23,26H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity at CXCR2 expressed in CHO cells assessed as inhibition of IL-8-induced chemotaxis				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Mus musculus)	BDBM50343090 (CHEMBL1771446 | N-(3-ethylphenyl)-4-o-tolyl-2-p-to...) Show SMILES CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2ccc(C)cc2)c1 Show InChI InChI=1S/C30H30N4O/c1-4-22-9-7-10-24(18-22)31-30(35)34-17-16-27-26(19-34)28(25-11-6-5-8-21(25)3)33-29(32-27)23-14-12-20(2)13-15-23/h5-15,18H,4,16-17,19H2,1-3H3,(H,31,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y14 expressed in human HEK cells coexpressing Galphai5 assessed as inhibition of UDP-glucose stimulated calcium releas...				Bioorg Med Chem Lett 21: 2832-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.084 BindingDB Entry DOI: 10.7270/Q20865N7
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50302104 (3-(2-(2-ethyl-2-(pyridin-2-yl)hydrazinyl)-3,4-diox...) Show SMILES CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccn1 Show InChI InChI=1S/C20H21N5O4/c1-4-25(14-10-5-6-11-21-14)23-16-15(18(27)19(16)28)22-13-9-7-8-12(17(13)26)20(29)24(2)3/h5-11,22-23,26H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
WuXi PharmaTech Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity at CXCR2 expressed in CHO cells assessed as inhibition of IL-8-induced chemotaxis				Bioorg Med Chem Lett 19: 5741-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.014 BindingDB Entry DOI: 10.7270/Q25H7GB8
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Mus musculus)	BDBM50343103 (CHEMBL1771238 | N-(3-ethylphenyl)-2-(pyridin-3-yl)...) Show SMILES CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2cccnc2)c1 Show InChI InChI=1S/C28H27N5O/c1-3-20-9-6-11-22(16-20)30-28(34)33-15-13-25-24(18-33)26(23-12-5-4-8-19(23)2)32-27(31-25)21-10-7-14-29-17-21/h4-12,14,16-17H,3,13,15,18H2,1-2H3,(H,30,34)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y14 expressed in human HEK cells coexpressing Galphai5 assessed as inhibition of UDP-glucose stimulated calcium releas...				Bioorg Med Chem Lett 21: 2832-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.084 BindingDB Entry DOI: 10.7270/Q20865N7
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50348614 (CHEMBL1801358) Show SMILES COc1ccc-2c(c1)C(CC1CCOCC1)(c1ccc(Cl)cc1)n1ccnc-21 Show InChI InChI=1S/C23H23ClN2O2/c1-27-19-6-7-20-21(14-19)23(26-11-10-25-22(20)26,15-16-8-12-28-13-9-16)17-2-4-18(24)5-3-17/h2-7,10-11,14,16H,8-9,12-13,15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4704-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.016 BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Mus musculus)	BDBM50343089 (CHEMBL1771445 | N-(3-ethylphenyl)-2-phenyl-4-o-tol...) Show SMILES CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2ccccc2)c1 Show InChI InChI=1S/C29H28N4O/c1-3-21-11-9-14-23(18-21)30-29(34)33-17-16-26-25(19-33)27(24-15-8-7-10-20(24)2)32-28(31-26)22-12-5-4-6-13-22/h4-15,18H,3,16-17,19H2,1-2H3,(H,30,34)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y14 expressed in human HEK cells coexpressing Galphai5 assessed as inhibition of UDP-glucose stimulated calcium releas...				Bioorg Med Chem Lett 21: 2832-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.084 BindingDB Entry DOI: 10.7270/Q20865N7
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50348612 (CHEMBL1801337) Show SMILES CCN(CC)C(=O)CCC1(c2ccccc2-c2nccn12)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN3O/c1-3-26(4-2)21(28)13-14-23(17-9-11-18(24)12-10-17)20-8-6-5-7-19(20)22-25-15-16-27(22)23/h5-12,15-16H,3-4,13-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4704-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.016 BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50348591 (CHEMBL1801272) Show SMILES Brc1ccc(cc1)C1(CC2CCOCC2)c2ccccc2-c2nccn12 Show InChI InChI=1S/C22H21BrN2O/c23-18-7-5-17(6-8-18)22(15-16-9-13-26-14-10-16)20-4-2-1-3-19(20)21-24-11-12-25(21)22/h1-8,11-12,16H,9-10,13-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4704-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.016 BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50348611 (CHEMBL1801336) Show SMILES C[C@H]1CC[C@@H](C)N1C(=O)CCC1(c2ccccc2-c2nccn12)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H26ClN3O/c1-17-7-8-18(2)29(17)23(30)13-14-25(19-9-11-20(26)12-10-19)22-6-4-3-5-21(22)24-27-15-16-28(24)25/h3-6,9-12,15-18H,7-8,13-14H2,1-2H3/t17-,18+,25?	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4704-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.016 BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
					More data for this Ligand-Target Pair

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