Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'trujillo' and Initial = 'k'   

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
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50512416 (CHEMBL4447162) Show SMILES Nc1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCCCCCn3cc(CCCCN4CCC(CC4)c4ccc(cc4)-c4cc(cc5cc(ccc45)-c4ccc(cc4)C(F)(F)F)C(O)=O)nn3)c3ccc(=N)c(c3oc2c1S(O)(=O)=O)S(O)(=O)=O |(41.72,-13.14,;41.86,-14.67,;40.6,-15.57,;40.74,-17.1,;42.13,-17.74,;42.28,-19.27,;41.03,-20.17,;41.18,-21.7,;39.93,-22.59,;38.53,-21.95,;38.38,-20.42,;39.63,-19.53,;39.47,-17.99,;37.94,-17.87,;39.87,-16.5,;37.28,-22.84,;37.42,-24.37,;35.88,-22.2,;34.62,-23.09,;33.22,-22.45,;31.97,-23.35,;30.57,-22.71,;29.31,-23.6,;27.91,-22.96,;26.66,-23.85,;25.2,-23.36,;24.28,-24.6,;22.74,-24.59,;21.98,-23.25,;20.44,-23.23,;19.69,-21.89,;18.15,-21.87,;17.36,-23.2,;15.83,-23.18,;15.07,-21.84,;15.84,-20.51,;17.39,-20.53,;13.54,-21.84,;12.76,-23.17,;11.22,-23.15,;10.46,-21.81,;11.23,-20.49,;12.77,-20.49,;8.92,-21.8,;8.16,-20.45,;6.61,-20.45,;5.83,-21.78,;6.59,-23.12,;5.82,-24.44,;6.58,-25.78,;8.12,-25.8,;8.9,-24.47,;8.14,-23.13,;5.79,-27.1,;4.25,-27.09,;3.47,-28.41,;4.23,-29.76,;5.78,-29.76,;6.55,-28.44,;3.45,-31.08,;1.91,-31.07,;4.21,-32.42,;2.67,-32.41,;5.84,-19.11,;4.3,-19.1,;6.62,-17.78,;25.17,-25.85,;26.64,-25.39,;43.68,-19.91,;43.82,-21.43,;45.21,-22.07,;46.46,-21.19,;47.86,-21.84,;46.33,-19.66,;44.93,-19.02,;44.8,-17.49,;43.39,-16.85,;43.26,-15.32,;44.51,-14.44,;45.91,-15.09,;43.74,-13.1,;45.28,-13.09,;47.58,-18.77,;48.98,-19.41,;46.8,-17.43,;48.35,-17.43,)| Show InChI InChI=1S/C62H58F3N7O12S2/c63-62(64,65)44-16-12-37(13-17-44)40-14-18-46-42(31-40)32-43(60(74)75)34-50(46)39-10-8-36(9-11-39)38-24-29-71(30-25-38)27-6-3-7-45-35-72(70-69-45)28-5-2-1-4-26-68-59(73)41-15-19-47(51(33-41)61(76)77)54-48-20-22-52(66)57(85(78,79)80)55(48)84-56-49(54)21-23-53(67)58(56)86(81,82)83/h8-23,31-35,38,66H,1-7,24-30,67H2,(H,68,73)(H,74,75)(H,76,77)(H,78,79,80)(H,81,82,83)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity at human P2Y14R expressed in CHO cells assessed as inhibition of UDPG-mediated reduction of forskolin-induced [3H]cAMP production...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50512416 (CHEMBL4447162) Show SMILES Nc1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCCCCCn3cc(CCCCN4CCC(CC4)c4ccc(cc4)-c4cc(cc5cc(ccc45)-c4ccc(cc4)C(F)(F)F)C(O)=O)nn3)c3ccc(=N)c(c3oc2c1S(O)(=O)=O)S(O)(=O)=O |(41.72,-13.14,;41.86,-14.67,;40.6,-15.57,;40.74,-17.1,;42.13,-17.74,;42.28,-19.27,;41.03,-20.17,;41.18,-21.7,;39.93,-22.59,;38.53,-21.95,;38.38,-20.42,;39.63,-19.53,;39.47,-17.99,;37.94,-17.87,;39.87,-16.5,;37.28,-22.84,;37.42,-24.37,;35.88,-22.2,;34.62,-23.09,;33.22,-22.45,;31.97,-23.35,;30.57,-22.71,;29.31,-23.6,;27.91,-22.96,;26.66,-23.85,;25.2,-23.36,;24.28,-24.6,;22.74,-24.59,;21.98,-23.25,;20.44,-23.23,;19.69,-21.89,;18.15,-21.87,;17.36,-23.2,;15.83,-23.18,;15.07,-21.84,;15.84,-20.51,;17.39,-20.53,;13.54,-21.84,;12.76,-23.17,;11.22,-23.15,;10.46,-21.81,;11.23,-20.49,;12.77,-20.49,;8.92,-21.8,;8.16,-20.45,;6.61,-20.45,;5.83,-21.78,;6.59,-23.12,;5.82,-24.44,;6.58,-25.78,;8.12,-25.8,;8.9,-24.47,;8.14,-23.13,;5.79,-27.1,;4.25,-27.09,;3.47,-28.41,;4.23,-29.76,;5.78,-29.76,;6.55,-28.44,;3.45,-31.08,;1.91,-31.07,;4.21,-32.42,;2.67,-32.41,;5.84,-19.11,;4.3,-19.1,;6.62,-17.78,;25.17,-25.85,;26.64,-25.39,;43.68,-19.91,;43.82,-21.43,;45.21,-22.07,;46.46,-21.19,;47.86,-21.84,;46.33,-19.66,;44.93,-19.02,;44.8,-17.49,;43.39,-16.85,;43.26,-15.32,;44.51,-14.44,;45.91,-15.09,;43.74,-13.1,;45.28,-13.09,;47.58,-18.77,;48.98,-19.41,;46.8,-17.43,;48.35,-17.43,)| Show InChI InChI=1S/C62H58F3N7O12S2/c63-62(64,65)44-16-12-37(13-17-44)40-14-18-46-42(31-40)32-43(60(74)75)34-50(46)39-10-8-36(9-11-39)38-24-29-71(30-25-38)27-6-3-7-45-35-72(70-69-45)28-5-2-1-4-26-68-59(73)41-15-19-47(51(33-41)61(76)77)54-48-20-22-52(66)57(85(78,79)80)55(48)84-56-49(54)21-23-53(67)58(56)86(81,82)83/h8-23,31-35,38,66H,1-7,24-30,67H2,(H,68,73)(H,74,75)(H,76,77)(H,78,79,80)(H,81,82,83)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity at human P2Y14R expressed in CHO cells assessed as inhibition of UDPG-mediated reduction of forskolin-induced [3H]cAMP production...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50532693 (CHEMBL4544251) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(Cl)s1)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C24H21ClN4O2S/c25-23-6-5-22(32-23)21-14-29(28-27-21)20-12-18(11-19(13-20)24(30)31)16-3-1-15(2-4-16)17-7-9-26-10-8-17/h1-6,11-14,17,26H,7-10H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to human H1 histamine receptor expressed in HEK cells by PDSP assay				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50532693 (CHEMBL4544251) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(Cl)s1)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C24H21ClN4O2S/c25-23-6-5-22(32-23)21-14-29(28-27-21)20-12-18(11-19(13-20)24(30)31)16-3-1-15(2-4-16)17-7-9-26-10-8-17/h1-6,11-14,17,26H,7-10H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to human H1 histamine receptor expressed in HEK cells by PDSP assay				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50532693 (CHEMBL4544251) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(Cl)s1)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C24H21ClN4O2S/c25-23-6-5-22(32-23)21-14-29(28-27-21)20-12-18(11-19(13-20)24(30)31)16-3-1-15(2-4-16)17-7-9-26-10-8-17/h1-6,11-14,17,26H,7-10H2,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to human alpha2C receptor expressed in MDCK cells by PDSP assay				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50532693 (CHEMBL4544251) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(Cl)s1)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C24H21ClN4O2S/c25-23-6-5-22(32-23)21-14-29(28-27-21)20-12-18(11-19(13-20)24(30)31)16-3-1-15(2-4-16)17-7-9-26-10-8-17/h1-6,11-14,17,26H,7-10H2,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to human alpha2C receptor expressed in MDCK cells by PDSP assay				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50532691 (CHEMBL4455037) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C#Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H22F3NO2/c28-27(29,30)25-9-3-18(4-10-25)1-2-19-15-23(17-24(16-19)26(32)33)21-7-5-20(6-8-21)22-11-13-31-14-12-22/h3-10,15-17,22,31H,11-14H2,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to guinea pig sigma1 receptor by PDSP assay				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50532691 (CHEMBL4455037) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C#Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H22F3NO2/c28-27(29,30)25-9-3-18(4-10-25)1-2-19-15-23(17-24(16-19)26(32)33)21-7-5-20(6-8-21)22-11-13-31-14-12-22/h3-10,15-17,22,31H,11-14H2,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to guinea pig sigma1 receptor by PDSP assay				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50532693 (CHEMBL4544251) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(Cl)s1)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C24H21ClN4O2S/c25-23-6-5-22(32-23)21-14-29(28-27-21)20-12-18(11-19(13-20)24(30)31)16-3-1-15(2-4-16)17-7-9-26-10-8-17/h1-6,11-14,17,26H,7-10H2,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to human alpha2A receptor expressed in MDCK cells by PDSP assay				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50532693 (CHEMBL4544251) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(Cl)s1)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C24H21ClN4O2S/c25-23-6-5-22(32-23)21-14-29(28-27-21)20-12-18(11-19(13-20)24(30)31)16-3-1-15(2-4-16)17-7-9-26-10-8-17/h1-6,11-14,17,26H,7-10H2,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to human alpha2A receptor expressed in MDCK cells by PDSP assay				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50456168 (CHEMBL1800685) Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to human delta opioid receptor expressed in HEK cells by PDSP assay				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50456168 (CHEMBL1800685) Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to human delta opioid receptor expressed in HEK cells by PDSP assay				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50532691 (CHEMBL4455037) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C#Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H22F3NO2/c28-27(29,30)25-9-3-18(4-10-25)1-2-19-15-23(17-24(16-19)26(32)33)21-7-5-20(6-8-21)22-11-13-31-14-12-22/h3-10,15-17,22,31H,11-14H2,(H,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to sigma 2 receptor in rat PC3 cells by PDSP assay				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50532691 (CHEMBL4455037) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C#Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H22F3NO2/c28-27(29,30)25-9-3-18(4-10-25)1-2-19-15-23(17-24(16-19)26(32)33)21-7-5-20(6-8-21)22-11-13-31-14-12-22/h3-10,15-17,22,31H,11-14H2,(H,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to sigma 2 receptor in rat PC3 cells by PDSP assay				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50456168 (CHEMBL1800685) Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	6.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to rat D3 dopamine receptor expressed in HEK293T cells by PDSP assay				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50456168 (CHEMBL1800685) Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	6.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to rat D3 dopamine receptor expressed in HEK293T cells by PDSP assay				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50456168 (CHEMBL1800685) Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity human P2Y14R expressed in African green monkey COS7 cells assessed as inhibition of UDPG-induced [3H]inositol phosphate accumulat...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50456168 (CHEMBL1800685) Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity human P2Y14R expressed in African green monkey COS7 cells assessed as inhibition of UDPG-induced [3H]inositol phosphate accumulat...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50456168 (CHEMBL1800685) Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50456168 (CHEMBL1800685) Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532694 (CHEMBL4454538) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-7-5-20(6-8-23)25-16-34(33-32-25)24-14-21(13-22(15-24)26(35)36)18-3-1-17(2-4-18)19-9-11-31-12-10-19/h1-8,13-16,19,31H,9-12H2,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532694 (CHEMBL4454538) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-7-5-20(6-8-23)25-16-34(33-32-25)24-14-21(13-22(15-24)26(35)36)18-3-1-17(2-4-18)19-9-11-31-12-10-19/h1-8,13-16,19,31H,9-12H2,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532697 (CHEMBL4441075) Show SMILES CCCc1ccc(cc1)-c1cn(nn1)-c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C(O)=O Show InChI InChI=1S/C29H30N4O2/c1-2-3-20-4-6-24(7-5-20)28-19-33(32-31-28)27-17-25(16-26(18-27)29(34)35)22-10-8-21(9-11-22)23-12-14-30-15-13-23/h4-11,16-19,23,30H,2-3,12-15H2,1H3,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532697 (CHEMBL4441075) Show SMILES CCCc1ccc(cc1)-c1cn(nn1)-c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C(O)=O Show InChI InChI=1S/C29H30N4O2/c1-2-3-20-4-6-24(7-5-20)28-19-33(32-31-28)27-17-25(16-26(18-27)29(34)35)22-10-8-21(9-11-22)23-12-14-30-15-13-23/h4-11,16-19,23,30H,2-3,12-15H2,1H3,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532701 (CHEMBL4472517) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(Br)s1)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C24H21BrN4O2S/c25-23-6-5-22(32-23)21-14-29(28-27-21)20-12-18(11-19(13-20)24(30)31)16-3-1-15(2-4-16)17-7-9-26-10-8-17/h1-6,11-14,17,26H,7-10H2,(H,30,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532701 (CHEMBL4472517) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(Br)s1)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C24H21BrN4O2S/c25-23-6-5-22(32-23)21-14-29(28-27-21)20-12-18(11-19(13-20)24(30)31)16-3-1-15(2-4-16)17-7-9-26-10-8-17/h1-6,11-14,17,26H,7-10H2,(H,30,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532696 (CHEMBL4465763) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(Br)cc1)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C26H23BrN4O2/c27-23-7-5-20(6-8-23)25-16-31(30-29-25)24-14-21(13-22(15-24)26(32)33)18-3-1-17(2-4-18)19-9-11-28-12-10-19/h1-8,13-16,19,28H,9-12H2,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532696 (CHEMBL4465763) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(Br)cc1)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C26H23BrN4O2/c27-23-7-5-20(6-8-23)25-16-31(30-29-25)24-14-21(13-22(15-24)26(32)33)18-3-1-17(2-4-18)19-9-11-28-12-10-19/h1-8,13-16,19,28H,9-12H2,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532702 (CHEMBL4458050) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(OC(F)(F)F)cc1)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C27H23F3N4O3/c28-27(29,30)37-24-7-5-20(6-8-24)25-16-34(33-32-25)23-14-21(13-22(15-23)26(35)36)18-3-1-17(2-4-18)19-9-11-31-12-10-19/h1-8,13-16,19,31H,9-12H2,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532702 (CHEMBL4458050) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(OC(F)(F)F)cc1)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C27H23F3N4O3/c28-27(29,30)37-24-7-5-20(6-8-24)25-16-34(33-32-25)23-14-21(13-22(15-23)26(35)36)18-3-1-17(2-4-18)19-9-11-31-12-10-19/h1-8,13-16,19,31H,9-12H2,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532698 (CHEMBL4587611) Show SMILES CCCCCOc1ccc(cc1)-c1cn(nn1)-c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C(O)=O Show InChI InChI=1S/C31H34N4O3/c1-2-3-4-17-38-29-11-9-25(10-12-29)30-21-35(34-33-30)28-19-26(18-27(20-28)31(36)37)23-7-5-22(6-8-23)24-13-15-32-16-14-24/h5-12,18-21,24,32H,2-4,13-17H2,1H3,(H,36,37)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532698 (CHEMBL4587611) Show SMILES CCCCCOc1ccc(cc1)-c1cn(nn1)-c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C(O)=O Show InChI InChI=1S/C31H34N4O3/c1-2-3-4-17-38-29-11-9-25(10-12-29)30-21-35(34-33-30)28-19-26(18-27(20-28)31(36)37)23-7-5-22(6-8-23)24-13-15-32-16-14-24/h5-12,18-21,24,32H,2-4,13-17H2,1H3,(H,36,37)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532703 (CHEMBL4462380) Show SMILES CC(C)(C)c1ccc(cc1)-c1cn(nn1)-c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C(O)=O Show InChI InChI=1S/C30H32N4O2/c1-30(2,3)26-10-8-23(9-11-26)28-19-34(33-32-28)27-17-24(16-25(18-27)29(35)36)21-6-4-20(5-7-21)22-12-14-31-15-13-22/h4-11,16-19,22,31H,12-15H2,1-3H3,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532703 (CHEMBL4462380) Show SMILES CC(C)(C)c1ccc(cc1)-c1cn(nn1)-c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C(O)=O Show InChI InChI=1S/C30H32N4O2/c1-30(2,3)26-10-8-23(9-11-26)28-19-34(33-32-28)27-17-24(16-25(18-27)29(35)36)21-6-4-20(5-7-21)22-12-14-31-15-13-22/h4-11,16-19,22,31H,12-15H2,1-3H3,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532699 (CHEMBL4568641) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(F)c(F)c1)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C26H22F2N4O2/c27-23-6-5-19(14-24(23)28)25-15-32(31-30-25)22-12-20(11-21(13-22)26(33)34)17-3-1-16(2-4-17)18-7-9-29-10-8-18/h1-6,11-15,18,29H,7-10H2,(H,33,34)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532699 (CHEMBL4568641) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(F)c(F)c1)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C26H22F2N4O2/c27-23-6-5-19(14-24(23)28)25-15-32(31-30-25)22-12-20(11-21(13-22)26(33)34)17-3-1-16(2-4-17)18-7-9-29-10-8-18/h1-6,11-15,18,29H,7-10H2,(H,33,34)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532692 (CHEMBL4443391) Show SMILES Cc1ccc(cc1)-c1cn(nn1)-c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C(O)=O Show InChI InChI=1S/C27H26N4O2/c1-18-2-4-22(5-3-18)26-17-31(30-29-26)25-15-23(14-24(16-25)27(32)33)20-8-6-19(7-9-20)21-10-12-28-13-11-21/h2-9,14-17,21,28H,10-13H2,1H3,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	237	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532692 (CHEMBL4443391) Show SMILES Cc1ccc(cc1)-c1cn(nn1)-c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C(O)=O Show InChI InChI=1S/C27H26N4O2/c1-18-2-4-22(5-3-18)26-17-31(30-29-26)25-15-23(14-24(16-25)27(32)33)20-8-6-19(7-9-20)21-10-12-28-13-11-21/h2-9,14-17,21,28H,10-13H2,1H3,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	237	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532695 (CHEMBL4554777) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(Cl)cc1)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C26H23ClN4O2/c27-23-7-5-20(6-8-23)25-16-31(30-29-25)24-14-21(13-22(15-24)26(32)33)18-3-1-17(2-4-18)19-9-11-28-12-10-19/h1-8,13-16,19,28H,9-12H2,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532695 (CHEMBL4554777) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(Cl)cc1)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C26H23ClN4O2/c27-23-7-5-20(6-8-23)25-16-31(30-29-25)24-14-21(13-22(15-24)26(32)33)18-3-1-17(2-4-18)19-9-11-28-12-10-19/h1-8,13-16,19,28H,9-12H2,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532700 (CHEMBL4558911) Show SMILES CC(C)c1ccc(cc1)-c1cn(nn1)-c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C(O)=O Show InChI InChI=1S/C29H30N4O2/c1-19(2)20-3-9-24(10-4-20)28-18-33(32-31-28)27-16-25(15-26(17-27)29(34)35)22-7-5-21(6-8-22)23-11-13-30-14-12-23/h3-10,15-19,23,30H,11-14H2,1-2H3,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	481	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532700 (CHEMBL4558911) Show SMILES CC(C)c1ccc(cc1)-c1cn(nn1)-c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C(O)=O Show InChI InChI=1S/C29H30N4O2/c1-19(2)20-3-9-24(10-4-20)28-18-33(32-31-28)27-16-25(15-26(17-27)29(34)35)22-7-5-21(6-8-22)23-11-13-30-14-12-23/h3-10,15-19,23,30H,11-14H2,1-2H3,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	481	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532691 (CHEMBL4455037) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C#Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H22F3NO2/c28-27(29,30)25-9-3-18(4-10-25)1-2-19-15-23(17-24(16-19)26(32)33)21-7-5-20(6-8-21)22-11-13-31-14-12-22/h3-10,15-17,22,31H,11-14H2,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity at human P2Y14R expressed in CHO cells assessed as inhibition of UDPG-mediated reduction of forskolin-induced cAMP production aft...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50532691 (CHEMBL4455037) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C#Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H22F3NO2/c28-27(29,30)25-9-3-18(4-10-25)1-2-19-15-23(17-24(16-19)26(32)33)21-7-5-20(6-8-21)22-11-13-31-14-12-22/h3-10,15-17,22,31H,11-14H2,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity at human P2Y14R expressed in CHO cells assessed as inhibition of UDPG-mediated reduction of forskolin-induced cAMP production aft...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 4 (Homo sapiens (Human))	BDBM50456168 (CHEMBL1800685) Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity human P2Y4R expressed in human 1321N1 cells assessed as inhibition of UTP-induced [3H]inositol phosphate accumulation after 30 mi...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Homo sapiens (Human))	BDBM50456168 (CHEMBL1800685) Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity human P2Y2R expressed in human 1321N1 cells assessed as inhibition of UTP-induced [3H]inositol phosphate accumulation after 30 mi...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 6 (Homo sapiens (Human))	BDBM50456168 (CHEMBL1800685) Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity human P2Y6R expressed in human 1321N1 cells assessed as inhibition of UDP-induced [3H]inositol phosphate accumulation after 30 mi...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 11 (Homo sapiens (Human))	BDBM50456168 (CHEMBL1800685) Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity human P2Y11R expressed in human 1321N1 cells assessed as inhibition of ATP-induced [3H]inositol phosphate accumulation after 30 m...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50456168 (CHEMBL1800685) Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity human P2Y1R expressed in human 1321N1 cells assessed as inhibition of 2MeSADP-induced [3H]inositol phosphate accumulation after 3...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Homo sapiens (Human))	BDBM50456168 (CHEMBL1800685) Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity human P2Y2R expressed in human 1321N1 cells assessed as inhibition of UTP-induced [3H]inositol phosphate accumulation after 30 mi...				J Med Chem 59: 6149-68 (2016) Article DOI: 10.1021/acs.jmedchem.6b00044 BindingDB Entry DOI: 10.7270/Q2DJ5K34
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 63 total )  |  Next  |  Last  >>

Jump to: