Compile Data Set for Download or QSAR

Found 162 hits with Last Name = 'dudas' and Initial = 's'   

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 Inhibition of human P2Y14R				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Rattus norvegicus)	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.400	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 P2Y14R in rat C6 cells assessed as suppression of UDP-glucose-mediated inhibition of forskolin-stimulated [3H]cyclic-AMP accum...				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50456166 (CHEMBL4216870) Show SMILES NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C41H46F3N5O2/c42-41(43,44)36-15-12-30(13-16-36)33-14-17-38-34(25-33)26-35(40(50)51)27-39(38)32-10-8-29(9-11-32)31-18-23-48(24-19-31)21-6-3-7-37-28-49(47-46-37)22-5-2-1-4-20-45/h8-17,25-28,31H,1-7,18-24,45H2,(H,50,51)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	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 Displacement of [3H]Rauwolscine from human adrenergic alpha2A receptor expressed in MDCK cell membranes after 90 mins by scintillation counting metho...				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50456166 (CHEMBL4216870) Show SMILES NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C41H46F3N5O2/c42-41(43,44)36-15-12-30(13-16-36)33-14-17-38-34(25-33)26-35(40(50)51)27-39(38)32-10-8-29(9-11-32)31-18-23-48(24-19-31)21-6-3-7-37-28-49(47-46-37)22-5-2-1-4-20-45/h8-17,25-28,31H,1-7,18-24,45H2,(H,50,51)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	365	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 Displacement of [125I]-Iodoaminopotentidine from human histamine H2 receptor expressed in HEK293T cell membranes after 90 mins by scintillation count...				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50543252 (CHEMBL4642215) Show SMILES NC(=O)c1ccc(cc1)-c1cc(cc(c1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C23H15F3N4O3/c24-23(25,26)18-5-7-19(8-6-18)30-12-20(28-29-30)16-9-15(10-17(11-16)22(32)33)13-1-3-14(4-2-13)21(27)31/h1-12H,(H2,27,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	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 1 receptor (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50541998 (CHEMBL4642592) Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C31H26F3NO3/c1-19(36)35-14-12-22(13-15-35)20-2-4-23(5-3-20)29-18-26(30(37)38)17-25-16-24(8-11-28(25)29)21-6-9-27(10-7-21)31(32,33)34/h2-11,16-18,22H,12-15H2,1H3,(H,37,38)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	510	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 TSPO receptor (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50456162 (CHEMBL4217398) Show SMILES CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C46H54F3N5O4/c1-45(2,3)58-44(57)50-23-7-4-5-8-25-54-31-40(51-52-54)10-6-9-24-53-26-21-34(22-27-53)32-11-13-35(14-12-32)42-30-38(43(55)56)29-37-28-36(17-20-41(37)42)33-15-18-39(19-16-33)46(47,48)49/h11-20,28-31,34H,4-10,21-27H2,1-3H3,(H,50,57)(H,55,56)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	829	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 Displacement of [125I]-Iodoaminopotentidine from human histamine H2 receptor expressed in HEK293T cell membranes after 90 mins by scintillation count...				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50456169 (CHEMBL4212721) Show SMILES NCCCNC(=O)c1ccc(s1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C24H20F3N5O3S/c25-24(26,27)17-4-2-14(3-5-17)19-13-32(31-30-19)18-11-15(10-16(12-18)23(34)35)20-6-7-21(36-20)22(33)29-9-1-8-28/h2-7,10-13H,1,8-9,28H2,(H,29,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	941	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 Displacement of [3H]-DADLE from human delta opioid receptor expressed in HEK293 cells after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	960	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 adrenergic alpha2A receptor (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50456166 (CHEMBL4216870) Show SMILES NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C41H46F3N5O2/c42-41(43,44)36-15-12-30(13-16-36)33-14-17-38-34(25-33)26-35(40(50)51)27-39(38)32-10-8-29(9-11-32)31-18-23-48(24-19-31)21-6-3-7-37-28-49(47-46-37)22-5-2-1-4-20-45/h8-17,25-28,31H,1-7,18-24,45H2,(H,50,51)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	984	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 Displacement of [3H]Rauwolscine from human adrenergic alpha2B receptor expressed in HEK293T cell membranes after 90 mins by scintillation counting me...				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50456166 (CHEMBL4216870) Show SMILES NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C41H46F3N5O2/c42-41(43,44)36-15-12-30(13-16-36)33-14-17-38-34(25-33)26-35(40(50)51)27-39(38)32-10-8-29(9-11-32)31-18-23-48(24-19-31)21-6-3-7-37-28-49(47-46-37)22-5-2-1-4-20-45/h8-17,25-28,31H,1-7,18-24,45H2,(H,50,51)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.07E+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 Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293T cell membranes after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50456166 (CHEMBL4216870) Show SMILES NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C41H46F3N5O2/c42-41(43,44)36-15-12-30(13-16-36)33-14-17-38-34(25-33)26-35(40(50)51)27-39(38)32-10-8-29(9-11-32)31-18-23-48(24-19-31)21-6-3-7-37-28-49(47-46-37)22-5-2-1-4-20-45/h8-17,25-28,31H,1-7,18-24,45H2,(H,50,51)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.07E+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 Displacement of [3H]-WIN35428 from human DAT after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50543267 (CHEMBL4647020) Show SMILES NCCCNC(=O)c1ccc(cc1)-c1cc(cc(c1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C26H22F3N5O3/c27-26(28,29)21-6-8-22(9-7-21)34-15-23(32-33-34)19-12-18(13-20(14-19)25(36)37)16-2-4-17(5-3-16)24(35)31-11-1-10-30/h2-9,12-15H,1,10-11,30H2,(H,31,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.11E+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 1 receptor (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50456166 (CHEMBL4216870) Show SMILES NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C41H46F3N5O2/c42-41(43,44)36-15-12-30(13-16-36)33-14-17-38-34(25-33)26-35(40(50)51)27-39(38)32-10-8-29(9-11-32)31-18-23-48(24-19-31)21-6-3-7-37-28-49(47-46-37)22-5-2-1-4-20-45/h8-17,25-28,31H,1-7,18-24,45H2,(H,50,51)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.11E+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 Displacement of [3H]-Prazosin from human adrenergic alpha1B receptor after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50456166 (CHEMBL4216870) Show SMILES NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C41H46F3N5O2/c42-41(43,44)36-15-12-30(13-16-36)33-14-17-38-34(25-33)26-35(40(50)51)27-39(38)32-10-8-29(9-11-32)31-18-23-48(24-19-31)21-6-3-7-37-28-49(47-46-37)22-5-2-1-4-20-45/h8-17,25-28,31H,1-7,18-24,45H2,(H,50,51)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+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 Displacement of [3H]-DTG from human sigma2 receptor expressed in HEK293T cell membranes after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456166 (CHEMBL4216870) Show SMILES NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C41H46F3N5O2/c42-41(43,44)36-15-12-30(13-16-36)33-14-17-38-34(25-33)26-35(40(50)51)27-39(38)32-10-8-29(9-11-32)31-18-23-48(24-19-31)21-6-3-7-37-28-49(47-46-37)22-5-2-1-4-20-45/h8-17,25-28,31H,1-7,18-24,45H2,(H,50,51)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.27E+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 Displacement of [3H]-Prazosin from human adrenergic alpha1D receptor after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50456191 (CHEMBL4211068) Show SMILES CCN(CC)CC.NC(=O)c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C23H15F3N4O3/c24-23(25,26)18-7-5-14(6-8-18)20-12-30(29-28-20)19-10-16(9-17(11-19)22(32)33)13-1-3-15(4-2-13)21(27)31/h1-12H,(H2,27,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.47E+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 Displacement of [3H]-DADLE from human delta opioid receptor expressed in HEK293 cells after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.48E+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 1 receptor (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50456166 (CHEMBL4216870) Show SMILES NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C41H46F3N5O2/c42-41(43,44)36-15-12-30(13-16-36)33-14-17-38-34(25-33)26-35(40(50)51)27-39(38)32-10-8-29(9-11-32)31-18-23-48(24-19-31)21-6-3-7-37-28-49(47-46-37)22-5-2-1-4-20-45/h8-17,25-28,31H,1-7,18-24,45H2,(H,50,51)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+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 Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes after 90 mins by scintillation counting met...				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50541998 (CHEMBL4642592) Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C31H26F3NO3/c1-19(36)35-14-12-22(13-15-35)20-2-4-23(5-3-20)29-18-26(30(37)38)17-25-16-24(8-11-28(25)29)21-6-9-27(10-7-21)31(32,33)34/h2-11,16-18,22H,12-15H2,1H3,(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.75E+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 5HT1D receptor (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50456166 (CHEMBL4216870) Show SMILES NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C41H46F3N5O2/c42-41(43,44)36-15-12-30(13-16-36)33-14-17-38-34(25-33)26-35(40(50)51)27-39(38)32-10-8-29(9-11-32)31-18-23-48(24-19-31)21-6-3-7-37-28-49(47-46-37)22-5-2-1-4-20-45/h8-17,25-28,31H,1-7,18-24,45H2,(H,50,51)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.77E+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 Displacement of [3H]-Prazosin from human adrenergic alpha1A receptor after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50456166 (CHEMBL4216870) Show SMILES NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C41H46F3N5O2/c42-41(43,44)36-15-12-30(13-16-36)33-14-17-38-34(25-33)26-35(40(50)51)27-39(38)32-10-8-29(9-11-32)31-18-23-48(24-19-31)21-6-3-7-37-28-49(47-46-37)22-5-2-1-4-20-45/h8-17,25-28,31H,1-7,18-24,45H2,(H,50,51)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.87E+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 Displacement of [3H]-Nisoxetine from human NET expressed in HEK293 cell membranes after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50456162 (CHEMBL4217398) Show SMILES CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C46H54F3N5O4/c1-45(2,3)58-44(57)50-23-7-4-5-8-25-54-31-40(51-52-54)10-6-9-24-53-26-21-34(22-27-53)32-11-13-35(14-12-32)42-30-38(43(55)56)29-37-28-36(17-20-41(37)42)33-15-18-39(19-16-33)46(47,48)49/h11-20,28-31,34H,4-10,21-27H2,1-3H3,(H,50,57)(H,55,56)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.08E+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 Displacement of [3H]-Citalopram from human SERT expressed in HEK293 cell membranes after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50456162 (CHEMBL4217398) Show SMILES CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C46H54F3N5O4/c1-45(2,3)58-44(57)50-23-7-4-5-8-25-54-31-40(51-52-54)10-6-9-24-53-26-21-34(22-27-53)32-11-13-35(14-12-32)42-30-38(43(55)56)29-37-28-36(17-20-41(37)42)33-15-18-39(19-16-33)46(47,48)49/h11-20,28-31,34H,4-10,21-27H2,1-3H3,(H,50,57)(H,55,56)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.36E+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 Displacement of [3H]-CGP12177 from human adrenergic beta-3 receptor expressed in HEK Flp-In cell membranes after 90 mins by scintillation counting me...				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50543252 (CHEMBL4642215) Show SMILES NC(=O)c1ccc(cc1)-c1cc(cc(c1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C23H15F3N4O3/c24-23(25,26)18-5-7-19(8-6-18)30-12-20(28-29-30)16-9-15(10-17(11-16)22(32)33)13-1-3-14(4-2-13)21(27)31/h1-12H,(H2,27,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.48E+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 DOR (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50543253 (CHEMBL4637158) Show SMILES OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C12CC1CNCC2 Show InChI InChI=1S/C28H23F3N4O2/c29-28(30,31)22-7-3-18(4-8-22)25-16-35(34-33-25)24-12-19(11-20(13-24)26(36)37)17-1-5-21(6-2-17)27-9-10-32-15-23(27)14-27/h1-8,11-13,16,23,32H,9-10,14-15H2,(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.63E+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 DOR (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.71E+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 adrenergic alpha2C receptor (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					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 DOR (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50456162 (CHEMBL4217398) Show SMILES CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C46H54F3N5O4/c1-45(2,3)58-44(57)50-23-7-4-5-8-25-54-31-40(51-52-54)10-6-9-24-53-26-21-34(22-27-53)32-11-13-35(14-12-32)42-30-38(43(55)56)29-37-28-36(17-20-41(37)42)33-15-18-39(19-16-33)46(47,48)49/h11-20,28-31,34H,4-10,21-27H2,1-3H3,(H,50,57)(H,55,56)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.77E+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 Displacement of [3H]-alpha-methylhistamine from human histamine H3 receptor expressed in HEK Flp-In cell membranes after 90 mins by scintillation cou...				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50456162 (CHEMBL4217398) Show SMILES CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C46H54F3N5O4/c1-45(2,3)58-44(57)50-23-7-4-5-8-25-54-31-40(51-52-54)10-6-9-24-53-26-21-34(22-27-53)32-11-13-35(14-12-32)42-30-38(43(55)56)29-37-28-36(17-20-41(37)42)33-15-18-39(19-16-33)46(47,48)49/h11-20,28-31,34H,4-10,21-27H2,1-3H3,(H,50,57)(H,55,56)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.78E+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 Displacement of [3H]-LSD from human 5-HT2B receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50543267 (CHEMBL4647020) Show SMILES NCCCNC(=O)c1ccc(cc1)-c1cc(cc(c1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C26H22F3N5O3/c27-26(28,29)21-6-8-22(9-7-21)34-15-23(32-33-34)19-12-18(13-20(14-19)25(36)37)16-2-4-17(5-3-16)24(35)31-11-1-10-30/h2-9,12-15H,1,10-11,30H2,(H,31,35)(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.96E+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 DOR (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50456169 (CHEMBL4212721) Show SMILES NCCCNC(=O)c1ccc(s1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C24H20F3N5O3S/c25-24(26,27)17-4-2-14(3-5-17)19-13-32(31-30-19)18-11-15(10-16(12-18)23(34)35)20-6-7-21(36-20)22(33)29-9-1-8-28/h2-7,10-13H,1,8-9,28H2,(H,29,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.26E+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 DOR (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50456178 (CHEMBL4214536) Show SMILES CCN(CC)CC.NS(=O)(=O)c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C22H15F3N4O4S/c23-22(24,25)17-5-1-14(2-6-17)20-12-29(28-27-20)18-10-15(9-16(11-18)21(30)31)13-3-7-19(8-4-13)34(26,32)33/h1-12H,(H,30,31)(H2,26,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.26E+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 Displacement of [3H]-DADLE from human delta opioid receptor expressed in HEK293 cells after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.79E+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 DOR (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.79E+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 DOR (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50456162 (CHEMBL4217398) Show SMILES CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C46H54F3N5O4/c1-45(2,3)58-44(57)50-23-7-4-5-8-25-54-31-40(51-52-54)10-6-9-24-53-26-21-34(22-27-53)32-11-13-35(14-12-32)42-30-38(43(55)56)29-37-28-36(17-20-41(37)42)33-15-18-39(19-16-33)46(47,48)49/h11-20,28-31,34H,4-10,21-27H2,1-3H3,(H,50,57)(H,55,56)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.06E+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 Displacement of [3H]-U69593 from human KOR expressed in HEK293 cell membranes after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50541998 (CHEMBL4642592) Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C31H26F3NO3/c1-19(36)35-14-12-22(13-15-35)20-2-4-23(5-3-20)29-18-26(30(37)38)17-25-16-24(8-11-28(25)29)21-6-9-27(10-7-21)31(32,33)34/h2-11,16-18,22H,12-15H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.31E+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 DRD3 (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50456169 (CHEMBL4212721) Show SMILES NCCCNC(=O)c1ccc(s1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C24H20F3N5O3S/c25-24(26,27)17-4-2-14(3-5-17)19-13-32(31-30-19)18-11-15(10-16(12-18)23(34)35)20-6-7-21(36-20)22(33)29-9-1-8-28/h2-7,10-13H,1,8-9,28H2,(H,29,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.34E+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 5HT1D receptor (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50541998 (CHEMBL4642592) Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C31H26F3NO3/c1-19(36)35-14-12-22(13-15-35)20-2-4-23(5-3-20)29-18-26(30(37)38)17-25-16-24(8-11-28(25)29)21-6-9-27(10-7-21)31(32,33)34/h2-11,16-18,22H,12-15H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.38E+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 dopamine D5 receptor (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50456162 (CHEMBL4217398) Show SMILES CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C46H54F3N5O4/c1-45(2,3)58-44(57)50-23-7-4-5-8-25-54-31-40(51-52-54)10-6-9-24-53-26-21-34(22-27-53)32-11-13-35(14-12-32)42-30-38(43(55)56)29-37-28-36(17-20-41(37)42)33-15-18-39(19-16-33)46(47,48)49/h11-20,28-31,34H,4-10,21-27H2,1-3H3,(H,50,57)(H,55,56)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.28E+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 Displacement of [3H]Rauwolscine from human adrenergic alpha2A receptor expressed in MDCK cell membranes after 90 mins by scintillation counting metho...				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50541996 (CHEMBL4633982) Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)23-5-7-24(8-6-23)34-16-25(32-33-34)21-13-20(14-22(15-21)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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.33E+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 adrenergic alpha2B receptor (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50456162 (CHEMBL4217398) Show SMILES CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C46H54F3N5O4/c1-45(2,3)58-44(57)50-23-7-4-5-8-25-54-31-40(51-52-54)10-6-9-24-53-26-21-34(22-27-53)32-11-13-35(14-12-32)42-30-38(43(55)56)29-37-28-36(17-20-41(37)42)33-15-18-39(19-16-33)46(47,48)49/h11-20,28-31,34H,4-10,21-27H2,1-3H3,(H,50,57)(H,55,56)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60E+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 Displacement of [3H]-PK11195 from rat brain TSPO after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50456166 (CHEMBL4216870) Show SMILES NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C41H46F3N5O2/c42-41(43,44)36-15-12-30(13-16-36)33-14-17-38-34(25-33)26-35(40(50)51)27-39(38)32-10-8-29(9-11-32)31-18-23-48(24-19-31)21-6-3-7-37-28-49(47-46-37)22-5-2-1-4-20-45/h8-17,25-28,31H,1-7,18-24,45H2,(H,50,51)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.65E+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 Displacement of [3H]-Way100635 from human 5-HT1A receptor expressed in CHO cell membranes after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50456190 (CHEMBL4205190) Show SMILES OC(=O)c1cc(O)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C18H11F3O3/c19-18(20,21)14-4-1-10(2-5-14)11-3-6-15-12(7-11)8-13(17(23)24)9-16(15)22/h1-9,22H,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.80E+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 Displacement of [3H]-Nisoxetine from human NET expressed in HEK293 cell membranes after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
D(3) dopamine 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 UniProtKB/SwissProt antibodypedia 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 DRD3 (unknown origin)				J Med Chem 63: 9563-9589 (2020) Article DOI: 10.1021/acs.jmedchem.0c00745 BindingDB Entry DOI: 10.7270/Q20R9SZP
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50456166 (CHEMBL4216870) Show SMILES NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C41H46F3N5O2/c42-41(43,44)36-15-12-30(13-16-36)33-14-17-38-34(25-33)26-35(40(50)51)27-39(38)32-10-8-29(9-11-32)31-18-23-48(24-19-31)21-6-3-7-37-28-49(47-46-37)22-5-2-1-4-20-45/h8-17,25-28,31H,1-7,18-24,45H2,(H,50,51)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60E+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 Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293T cell membranes after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50456162 (CHEMBL4217398) Show SMILES CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C46H54F3N5O4/c1-45(2,3)58-44(57)50-23-7-4-5-8-25-54-31-40(51-52-54)10-6-9-24-53-26-21-34(22-27-53)32-11-13-35(14-12-32)42-30-38(43(55)56)29-37-28-36(17-20-41(37)42)33-15-18-39(19-16-33)46(47,48)49/h11-20,28-31,34H,4-10,21-27H2,1-3H3,(H,50,57)(H,55,56)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90E+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 Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50456166 (CHEMBL4216870) Show SMILES NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C41H46F3N5O2/c42-41(43,44)36-15-12-30(13-16-36)33-14-17-38-34(25-33)26-35(40(50)51)27-39(38)32-10-8-29(9-11-32)31-18-23-48(24-19-31)21-6-3-7-37-28-49(47-46-37)22-5-2-1-4-20-45/h8-17,25-28,31H,1-7,18-24,45H2,(H,50,51)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.21E+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 Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293T cell membranes after 90 mins by scintillation counting met...				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50456166 (CHEMBL4216870) Show SMILES NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1 Show InChI InChI=1S/C41H46F3N5O2/c42-41(43,44)36-15-12-30(13-16-36)33-14-17-38-34(25-33)26-35(40(50)51)27-39(38)32-10-8-29(9-11-32)31-18-23-48(24-19-31)21-6-3-7-37-28-49(47-46-37)22-5-2-1-4-20-45/h8-17,25-28,31H,1-7,18-24,45H2,(H,50,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.40E+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 Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in HEK293T cell membranes after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					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	8	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 MRS4174 from human P2Y14R expressed in CHO cells preincubated for 30 mins followed by MRS4174 addition measured after 30 mins by flow...				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair

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