Compile Data Set for Download or QSAR

Found 7449 hits with Last Name = 'bal' and Initial = 'r'   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50160893 (8-Methyl-3-(4-thiophen-3-yl-phenyl)-8-aza-bicyclo[...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2C |TLB:23:22:4.10.9:6.7,THB:2:4:22:6.7,11:10:22:6.7| Show InChI InChI=1S/C20H23NO2S/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50160893 (8-Methyl-3-(4-thiophen-3-yl-phenyl)-8-aza-bicyclo[...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2C |TLB:23:22:4.10.9:6.7,THB:2:4:22:6.7,11:10:22:6.7| Show InChI InChI=1S/C20H23NO2S/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50368145 (CHEMBL1788212) Show SMILES Oc1cccc2C[C@H]3N(CC=C)CCc4cccc(c34)-c12 |r| Show InChI InChI=1S/C19H19NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h2-8,16,21H,1,9-12H2/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Compound was evaluated for its ability to inhibit Striatal Dopamine Receptor in rat brain through radioreceptor assay carried out with agonist ligand...				J Med Chem 34: 24-8 (1991) BindingDB Entry DOI: 10.7270/Q24Q7VKQ
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50051007 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human Endothelin A receptor in chinese hamster ovary cells				J Med Chem 39: 1039-48 (1996) Article DOI: 10.1021/jm9505369 BindingDB Entry DOI: 10.7270/Q29G5KWT
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50029464 (5-(2-Carboxy-ethyl)-6-[3-(5-ethyl-4'-fluoro-2-hydr...) Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C34H29FO9/c1-2-19-16-25(20-4-7-22(35)8-5-20)27(36)18-30(19)43-15-3-14-42-28-12-9-24-32(39)26-17-21(34(40)41)6-11-29(26)44-33(24)23(28)10-13-31(37)38/h4-9,11-12,16-18,36H,2-3,10,13-15H2,1H3,(H,37,38)(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition of specific binding of [3H]LTB4 to guinea pig lung membranes expressing LTB4 receptor				J Med Chem 36: 3982-4 (1994) BindingDB Entry DOI: 10.7270/Q2H1313H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM52987 ((6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) Show SMILES CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from rat dopamine D2 receptor				J Med Chem 50: 171-81 (2007) Article DOI: 10.1021/jm060959i BindingDB Entry DOI: 10.7270/Q22J6CPJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM52987 ((6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) Show SMILES CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity at rat striatal Dopamine receptor D2 using [3H]- piperone radioligand				J Med Chem 33: 1800-5 (1990) BindingDB Entry DOI: 10.7270/Q2K35SMD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50106857 (3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-car...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 |THB:2:4:18:6.7| Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alcohol and Drug Abuse Research Center Curated by ChEMBL					Assay Description Ability to displace [3H]- paroxetine from Serotonin transporter in rat cerebral cortical homogenate				Bioorg Med Chem Lett 11: 3049-53 (2001) BindingDB Entry DOI: 10.7270/Q23N22PN
					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by PDSP Ki Database									J Pharmacol Exp Ther 301: 1097-102 (2002) Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Biochemicals International Curated by ChEMBL					Assay Description In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.				J Med Chem 39: 543-8 (1996) Article DOI: 10.1021/jm9505324 BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50106857 (3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-car...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 |THB:2:4:18:6.7| Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale School of Medicine Curated by ChEMBL					Assay Description Binding affinity to serotonin transporter (SERT) in rat forebrain tissue				Bioorg Med Chem Lett 14: 2117-20 (2004) Article DOI: 10.1016/j.bmcl.2004.02.043 BindingDB Entry DOI: 10.7270/Q2WS8SQK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50106857 (3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-car...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 |THB:2:4:18:6.7| Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale School of Medicine Curated by ChEMBL					Assay Description Binding affinity to serotonin transporter (SERT) in rat forebrain tissue				Bioorg Med Chem Lett 14: 2117-20 (2004) Article DOI: 10.1016/j.bmcl.2004.02.043 BindingDB Entry DOI: 10.7270/Q2WS8SQK
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50050976 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1CC(C(C1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human Endothelin A receptor in chinese hamster ovary cells				J Med Chem 39: 1039-48 (1996) Article DOI: 10.1021/jm9505369 BindingDB Entry DOI: 10.7270/Q29G5KWT
					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
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
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50345553 (3-(2-(2-methylthiazol-4-yl)ethynyl)-5-bromobenzoni...) Show SMILES Cc1nc(cs1)C#Cc1cc(Br)cc(c1)C#N Show InChI InChI=1S/C13H7BrN2S/c1-9-16-13(8-17-9)3-2-10-4-11(7-15)6-12(14)5-10/h4-6,8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Neurodegenerative Disorders Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 3243-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.047 BindingDB Entry DOI: 10.7270/Q290244M
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50029477 (5-(2-Carboxy-ethyl)-6-[3-(5-ethyl-2-hydroxy-biphen...) Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O)-c1ccccc1 Show InChI InChI=1S/C34H30O9/c1-2-20-17-25(21-7-4-3-5-8-21)27(35)19-30(20)42-16-6-15-41-28-13-10-24-32(38)26-18-22(34(39)40)9-12-29(26)43-33(24)23(28)11-14-31(36)37/h3-5,7-10,12-13,17-19,35H,2,6,11,14-16H2,1H3,(H,36,37)(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition of specific binding of [3H]-LTB4 to guinea pig lung membranes expressing LTB4 receptor				J Med Chem 36: 3982-4 (1994) BindingDB Entry DOI: 10.7270/Q2H1313H
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86266 (MCL-204) Show SMILES Cc1cccc(c1)C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12 Show InChI InChI=1S/C20H22BrNO2/c1-3-8-22-9-7-15-16(11-18(23)20(24)19(15)21)17(12-22)14-6-4-5-13(2)10-14/h3-6,10-11,17,23-24H,1,7-9,12H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by PDSP Ki Database									Eur J Pharmacol 474: 137-40 (2003) Article DOI: 10.1016/s0014-2999(03)02008-9 BindingDB Entry DOI: 10.7270/Q2DN43MQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50048558 (8-(3-Fluoro-propyl)-3-(4-iodo-phenyl)-8-aza-bicycl...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Biochemicals International Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.				J Med Chem 39: 543-8 (1996) Article DOI: 10.1021/jm9505324 BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50160892 (3-(4-Thiophen-2-yl-phenyl)-8-aza-bicyclo[3.2.1]oct...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2 |THB:2:4:22:6.7,11:10:22:6.7| Show InChI InChI=1S/C19H21NO2S/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50160892 (3-(4-Thiophen-2-yl-phenyl)-8-aza-bicyclo[3.2.1]oct...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2 |THB:2:4:22:6.7,11:10:22:6.7| Show InChI InChI=1S/C19H21NO2S/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86180 (CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...) Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1 Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by PDSP Ki Database									Eur J Pharmacol 474: 137-40 (2003) Article DOI: 10.1016/s0014-2999(03)02008-9 BindingDB Entry DOI: 10.7270/Q2DN43MQ
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50013889 ((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...) Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r| Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of binding of [3H]LTB4 to LTB4 receptor in guinea-pig lung membranes				Bioorg Med Chem Lett 3: 1981-1984 (1993) Article DOI: 10.1016/S0960-894X(01)80999-9 BindingDB Entry DOI: 10.7270/Q2VH5P9R
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (RAT)	BDBM82247 (8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Compound was evaluated for affinity towards dopamine D1-like receptor in homogenate of caudateputamen tissue from rat brain				Bioorg Med Chem Lett 10: 1113-5 (2000) BindingDB Entry DOI: 10.7270/Q21N81NF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM82247 (8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Compound was evaluated for affinity towards dopamine D1-like receptor in homogenate of caudateputamen tissue from rat brain				Bioorg Med Chem Lett 10: 1113-5 (2000) BindingDB Entry DOI: 10.7270/Q21N81NF
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50013889 ((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...) Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r| Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition of specific binding of [3H]LTB4 to guinea pig lung membranes expressing LTB4 receptor				J Med Chem 36: 3982-4 (1994) BindingDB Entry DOI: 10.7270/Q2H1313H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50345552 (3-(2-(2-methylthiazol-4-yl)ethynyl)-5-chlorobenzon...) Show SMILES Cc1nc(cs1)C#Cc1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C13H7ClN2S/c1-9-16-13(8-17-9)3-2-10-4-11(7-15)6-12(14)5-10/h4-6,8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Neurodegenerative Disorders Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 3243-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.047 BindingDB Entry DOI: 10.7270/Q290244M
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50050964 (4-[1-Benzo[1,3]dioxol-5-yl-2-(4-isopropyl-benzenes...) Show SMILES CCCc1cc(ccc1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C28H29NO8S/c1-4-5-19-14-21(28(31)32)9-12-23(19)37-26(20-8-13-24-25(15-20)36-16-35-24)27(30)29-38(33,34)22-10-6-18(7-11-22)17(2)3/h6-15,17,26H,4-5,16H2,1-3H3,(H,29,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human Endothelin A receptor in chinese hamster ovary cells				J Med Chem 39: 1039-48 (1996) Article DOI: 10.1021/jm9505369 BindingDB Entry DOI: 10.7270/Q29G5KWT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50048561 (8-(2-Fluoro-ethyl)-3-(4-iodo-phenyl)-8-aza-bicyclo...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCF |THB:2:4:18:6.7| Show InChI InChI=1S/C17H21FINO2/c1-22-17(21)16-14(11-2-4-12(19)5-3-11)10-13-6-7-15(16)20(13)9-8-18/h2-5,13-16H,6-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Biochemicals International Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.				J Med Chem 39: 543-8 (1996) Article DOI: 10.1021/jm9505324 BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50175644 (CHEMBL200044 | methyl 3-(4-(furan-2-yl)phenyl)-8-a...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2 |THB:2:4:6.7:22,11:10:6.7:22| Show InChI InChI=1S/C19H21NO3/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50175644 (CHEMBL200044 | methyl 3-(4-(furan-2-yl)phenyl)-8-a...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2 |THB:2:4:6.7:22,11:10:6.7:22| Show InChI InChI=1S/C19H21NO3/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50160894 (8-Methyl-3-(4-thiophen-2-yl-phenyl)-8-aza-bicyclo[...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2C |TLB:23:22:4.10.9:6.7,THB:2:4:22:6.7,11:10:22:6.7| Show InChI InChI=1S/C20H23NO2S/c1-21-15-9-10-17(21)19(20(22)23-2)16(12-15)13-5-7-14(8-6-13)18-4-3-11-24-18/h3-8,11,15-17,19H,9-10,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50160894 (8-Methyl-3-(4-thiophen-2-yl-phenyl)-8-aza-bicyclo[...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2C |TLB:23:22:4.10.9:6.7,THB:2:4:22:6.7,11:10:22:6.7| Show InChI InChI=1S/C20H23NO2S/c1-21-15-9-10-17(21)19(20(22)23-2)16(12-15)13-5-7-14(8-6-13)18-4-3-11-24-18/h3-8,11,15-17,19H,9-10,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by PDSP Ki Database									J Pharmacol Exp Ther 301: 1097-102 (2002) Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50034267 (3-(benzo[d][1,3]dioxol-5-yl)-5-hydroxy-5-(4-methox...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human Endothelin A receptor in chinese hamster ovary cells				J Med Chem 39: 1039-48 (1996) Article DOI: 10.1021/jm9505369 BindingDB Entry DOI: 10.7270/Q29G5KWT
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010692 ((R)-(-)-2-methoxy-N-npropylnorapomorphine | (R)-2-...) Show SMILES CCCN1CCc2cc(OC)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C20H23NO3/c1-3-7-21-8-6-13-9-14(24-2)11-15-18(13)16(21)10-12-4-5-17(22)20(23)19(12)15/h4-5,9,11,16,22-23H,3,6-8,10H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from rat dopamine D2 receptor				J Med Chem 50: 171-81 (2007) Article DOI: 10.1021/jm060959i BindingDB Entry DOI: 10.7270/Q22J6CPJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010692 ((R)-(-)-2-methoxy-N-npropylnorapomorphine | (R)-2-...) Show SMILES CCCN1CCc2cc(OC)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C20H23NO3/c1-3-7-21-8-6-13-9-14(24-2)11-15-18(13)16(21)10-12-4-5-17(22)20(23)19(12)15/h4-5,9,11,16,22-23H,3,6-8,10H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity at rat striatal Dopamine receptor D2 using [3H]- piperone radioligand				J Med Chem 33: 1800-5 (1990) BindingDB Entry DOI: 10.7270/Q2K35SMD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50155461 (3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-car...) Show SMILES FCCOC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 |TLB:13:12:20:8.9,THB:4:6:20:8.9| Show InChI InChI=1S/C16H19FINO2/c17-7-8-21-16(20)15-13(9-12-5-6-14(15)19-12)10-1-3-11(18)4-2-10/h1-4,12-15,19H,5-9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-cyanoimiprimine from serotonin transporter of rat cerebral cortical homogenate				Bioorg Med Chem Lett 14: 5635-9 (2004) Article DOI: 10.1016/j.bmcl.2004.08.049 BindingDB Entry DOI: 10.7270/Q2RB743J
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM86275 (MCL-203) Show SMILES CN1CCc2c(Br)c(O)c(O)cc2[C@@H](C1)c1cccc(C)c1 |r| Show InChI InChI=1S/C18H20BrNO2/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by PDSP Ki Database									Eur J Pharmacol 474: 137-40 (2003) Article DOI: 10.1016/s0014-2999(03)02008-9 BindingDB Entry DOI: 10.7270/Q2DN43MQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50291007 ((3S,5R)-methyl 3-(4-iodophenyl)-8-(8-(1,3-dioxoiso...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCCCCCN1C(=O)c2ccccc2C1=O |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C31H37IN2O4/c1-38-31(37)28-26(21-12-14-22(32)15-13-21)20-23-16-17-27(28)33(23)18-8-4-2-3-5-9-19-34-29(35)24-10-6-7-11-25(24)30(34)36/h6-7,10-15,23,26-28H,2-5,8-9,16-20H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound for Serotonin transporter with [3H]- paroxetine as radioligand in corpus striatum tissue from rat forebrain				Bioorg Med Chem Lett 7: 337-340 (1997) Article DOI: 10.1016/S0960-894X(97)00009-7 BindingDB Entry DOI: 10.7270/Q2T72HGQ
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19854 (CHEMBL426819 | CRA-013783/L-006235 | N-{1-[(cyanom...) Show SMILES CN1CCN(CC1)c1nc(cs1)-c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N Show InChI InChI=1S/C24H30N6O2S/c1-29-13-15-30(16-14-29)23-27-20(17-33-23)18-5-7-19(8-6-18)21(31)28-24(9-3-2-4-10-24)22(32)26-12-11-25/h5-8,17H,2-4,9-10,12-16H2,1H3,(H,26,32)(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate				J Med Chem 48: 7520-34 (2005) Article DOI: 10.1021/jm058198r BindingDB Entry DOI: 10.7270/Q23T9GSB
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50345572 (3-(2-(pyridin-2-yl)ethynyl)-5-fluorobenzonitrile |...) Show SMILES Fc1cc(cc(c1)C#Cc1ccccn1)C#N Show InChI InChI=1S/C14H7FN2/c15-13-8-11(7-12(9-13)10-16)4-5-14-3-1-2-6-17-14/h1-3,6-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Neurodegenerative Disorders Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 3243-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.047 BindingDB Entry DOI: 10.7270/Q290244M
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50314676 ((4-(6-fluoroquinazolin-2-yl)-1,4-diazepan-1-yl)(5-...) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCN(CC1)c1ncc2cc(F)ccc2n1)-n1nccn1 Show InChI InChI=1S/C23H22FN7O/c1-16-3-6-21(31-26-7-8-27-31)19(13-16)22(32)29-9-2-10-30(12-11-29)23-25-15-17-14-18(24)4-5-20(17)28-23/h3-8,13-15H,2,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to OX2 receptor by radioligand displacement assay				Bioorg Med Chem Lett 20: 2311-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.138 BindingDB Entry DOI: 10.7270/Q2MK6D26
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50291008 ((3S,5S)-methyl 3-(4-iodophenyl)-8-(4-(1,3-dioxoiso...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCN1C(=O)c2ccccc2C1=O |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C27H29IN2O4/c1-34-27(33)24-22(17-8-10-18(28)11-9-17)16-19-12-13-23(24)29(19)14-4-5-15-30-25(31)20-6-2-3-7-21(20)26(30)32/h2-3,6-11,19,22-24H,4-5,12-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound for Serotonin transporter with [3H]- paroxetine as radioligand in corpus striatum tissue from rat forebrain				Bioorg Med Chem Lett 7: 337-340 (1997) Article DOI: 10.1016/S0960-894X(97)00009-7 BindingDB Entry DOI: 10.7270/Q2T72HGQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50012990 (6-Ethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinol...) Show SMILES CCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C18H19NO2/c1-2-19-9-8-11-4-3-5-13-16(11)14(19)10-12-6-7-15(20)18(21)17(12)13/h3-7,14,20-21H,2,8-10H2,1H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Dopamine receptor D2 affinity was tested in vitro against corpus striatum from rat brain membranes				J Med Chem 33: 39-44 (1990) BindingDB Entry DOI: 10.7270/Q2183732
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50004167 ((2R,3S)-3-(4-Chloro-phenyl)-2-((E)-2-chloro-vinyl)...) Show SMILES CN1C2CCC1[C@@H](\C=C\Cl)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:12:10:1:4.3,0:1:6.10.11:4.3| Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8+/t13?,14-,15+,16?/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding constant for the ability to displace [3H]mazindol to dopamine receptor was calculated from the Cheng-Prusoff relationship				Bioorg Med Chem Lett 3: 1327-1332 (1993) Article DOI: 10.1016/S0960-894X(00)80341-8 BindingDB Entry DOI: 10.7270/Q2RJ4JZN
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50012990 (6-Ethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinol...) Show SMILES CCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C18H19NO2/c1-2-19-9-8-11-4-3-5-13-16(11)14(19)10-12-6-7-15(20)18(21)17(12)13/h3-7,14,20-21H,2,8-10H2,1H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Agonist activity was tested in vitro against Dopamine receptor from rat brain membranes with [3H]ADT-6,7-dihydroxy-2-aminotetralin]				J Med Chem 33: 39-44 (1990) BindingDB Entry DOI: 10.7270/Q2183732
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50160898 (3-(4-Thiophen-3-yl-phenyl)-8-aza-bicyclo[3.2.1]oct...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2 |THB:2:4:22:6.7,11:10:22:6.7| Show InChI InChI=1S/C19H21NO2S/c1-22-19(21)18-16(10-15-6-7-17(18)20-15)13-4-2-12(3-5-13)14-8-9-23-11-14/h2-5,8-9,11,15-18,20H,6-7,10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50160898 (3-(4-Thiophen-3-yl-phenyl)-8-aza-bicyclo[3.2.1]oct...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2 |THB:2:4:22:6.7,11:10:22:6.7| Show InChI InChI=1S/C19H21NO2S/c1-22-19(21)18-16(10-15-6-7-17(18)20-15)13-4-2-12(3-5-13)14-8-9-23-11-14/h2-5,8-9,11,15-18,20H,6-7,10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50155459 (3-(4-Bromo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-ca...) Show SMILES FCCOC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2 |TLB:13:12:20:8.9,THB:4:6:20:8.9| Show InChI InChI=1S/C16H19BrFNO2/c17-11-3-1-10(2-4-11)13-9-12-5-6-14(19-12)15(13)16(20)21-8-7-18/h1-4,12-15,19H,5-9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-cyanoimiprimine from serotonin transporter of rat cerebral cortical homogenate				Bioorg Med Chem Lett 14: 5635-9 (2004) Article DOI: 10.1016/j.bmcl.2004.08.049 BindingDB Entry DOI: 10.7270/Q2RB743J
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 7449 total )  |  Next  |  Last  >>

Jump to: