Compile Data Set for Download or QSAR

Found 470 hits with Last Name = 'healy' and Initial = 'j'   

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 dopamine transporter (Rattus norvegicus (rat))	BDBM50007404 (1-(3-Chloro-phenyl)-4-phenethyl-piperazine | CHEMB...) Show SMILES Clc1cccc(c1)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C18H21ClN2/c19-17-7-4-8-18(15-17)21-13-11-20(12-14-21)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]WIN 35428 from dopamine transporter in rat striatum after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50274047 (CHEMBL3613796) Show SMILES OB(O)CNS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1nnn[nH]1 Show InChI InChI=1S/C9H9BF3N5O4S/c11-9(12,13)6-3-5(8-15-17-18-16-8)1-2-7(6)23(21,22)14-4-10(19)20/h1-3,14,19-20H,4H2,(H,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCL School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of Escherichia coli AmpC using CENTA as substrate by spectrometry based Lineweaver-Burk plot analysis				Bioorg Med Chem 26: 2921-2927 (2018) Article DOI: 10.1016/j.bmc.2018.04.055 BindingDB Entry DOI: 10.7270/Q25T3P0V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50007410 (1-(4-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine...) Show SMILES Clc1ccc(cc1)N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C19H23ClN2/c20-18-8-10-19(11-9-18)22-15-13-21(14-16-22)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50494706 (CHEMBL3093268) Show SMILES Clc1ccccc1N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C18H21ClN2/c19-17-8-4-5-9-18(17)21-14-12-20(13-15-21)11-10-16-6-2-1-3-7-16/h1-9H,10-15H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]WIN 35428 from dopamine transporter in rat striatum after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50494706 (CHEMBL3093268) Show SMILES Clc1ccccc1N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C18H21ClN2/c19-17-8-4-5-9-18(17)21-14-12-20(13-15-21)11-10-16-6-2-1-3-7-16/h1-9H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate after 1 hr by liquid scintillation counting				Bioorg Med Chem 20: 4556-63 (2012) Article DOI: 10.1016/j.bmc.2012.05.006 BindingDB Entry DOI: 10.7270/Q2DJ5GPH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50494707 (CHEMBL3093270) Show SMILES Clc1ccccc1N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C19H23ClN2/c20-18-10-4-5-11-19(18)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in rat brain homogenate after 1 hr by liquid scintillation counting				Bioorg Med Chem 20: 4556-63 (2012) Article DOI: 10.1016/j.bmc.2012.05.006 BindingDB Entry DOI: 10.7270/Q2DJ5GPH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM21130 (N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...) Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human KOR expressed in CHO cells				Bioorg Med Chem Lett 27: 666-669 (2017) Article DOI: 10.1016/j.bmcl.2016.11.057 BindingDB Entry DOI: 10.7270/Q22V2JBQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cells				Bioorg Med Chem Lett 27: 666-669 (2017) Article DOI: 10.1016/j.bmcl.2016.11.057 BindingDB Entry DOI: 10.7270/Q22V2JBQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50494708 (CHEMBL3093269) Show SMILES Clc1ccc(cc1)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C18H21ClN2/c19-17-6-8-18(9-7-17)21-14-12-20(13-15-21)11-10-16-4-2-1-3-5-16/h1-9H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21008 ((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human DOR expressed in CHO cells				Bioorg Med Chem Lett 27: 666-669 (2017) Article DOI: 10.1016/j.bmcl.2016.11.057 BindingDB Entry DOI: 10.7270/Q22V2JBQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50493002 (CHEMBL2413795) Show SMILES CN(C)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r| Show InChI InChI=1S/C17H27NO/c1-18(2)16-12-6-7-13-17(16)19-14-8-11-15-9-4-3-5-10-15/h3-5,9-10,16-17H,6-8,11-14H2,1-2H3/t16-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenates after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50007412 (1-(3-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine...) Show SMILES Clc1cccc(c1)N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C19H23ClN2/c20-18-9-4-10-19(16-18)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16H,5,8,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50494708 (CHEMBL3093269) Show SMILES Clc1ccc(cc1)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C18H21ClN2/c19-17-6-8-18(9-7-17)21-14-12-20(13-15-21)11-10-16-4-2-1-3-5-16/h1-9H,10-15H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]WIN 35428 from dopamine transporter in rat striatum after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50007404 (1-(3-Chloro-phenyl)-4-phenethyl-piperazine | CHEMB...) Show SMILES Clc1cccc(c1)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C18H21ClN2/c19-17-7-4-8-18(15-17)21-13-11-20(12-14-21)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in rat brain homogenate after 1 hr by liquid scintillation counting				Bioorg Med Chem 20: 4556-63 (2012) Article DOI: 10.1016/j.bmc.2012.05.006 BindingDB Entry DOI: 10.7270/Q2DJ5GPH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50234128 (CHEMBL4083911) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:14:4.5.6| Show InChI InChI=1S/C24H23NO4/c1-25-10-9-23-19-15-7-8-17(26)21(19)29-22(23)20(27)16(11-14-5-3-2-4-6-14)13-24(23,28)18(25)12-15/h2-8,11,18,22,26,28H,9-10,12-13H2,1H3/b16-11+/t18-,22+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human DOR expressed in CHO cells				Bioorg Med Chem Lett 27: 666-669 (2017) Article DOI: 10.1016/j.bmcl.2016.11.057 BindingDB Entry DOI: 10.7270/Q22V2JBQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50234128 (CHEMBL4083911) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:14:4.5.6| Show InChI InChI=1S/C24H23NO4/c1-25-10-9-23-19-15-7-8-17(26)21(19)29-22(23)20(27)16(11-14-5-3-2-4-6-14)13-24(23,28)18(25)12-15/h2-8,11,18,22,26,28H,9-10,12-13H2,1H3/b16-11+/t18-,22+,23+,24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cells				Bioorg Med Chem Lett 27: 666-669 (2017) Article DOI: 10.1016/j.bmcl.2016.11.057 BindingDB Entry DOI: 10.7270/Q22V2JBQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50493000 (CHEMBL2413878) Show SMILES CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1O |r| Show InChI InChI=1S/C16H25NO/c1-17(15-11-5-6-12-16(15)18)13-7-10-14-8-3-2-4-9-14/h2-4,8-9,15-16,18H,5-7,10-13H2,1H3/t15-,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenates after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50454798 (7-Benzylidenenaltrexone | BNTX) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4| Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in guinea pig brain membranes measured after 60 mins by scintillation counting method				Bioorg Med Chem Lett 27: 666-669 (2017) Article DOI: 10.1016/j.bmcl.2016.11.057 BindingDB Entry DOI: 10.7270/Q22V2JBQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50109389 (1-Phenethyl-piperidine | 1-phenethylpiperidine | C...) Show SMILES C(Cc1ccccc1)N1CCCCC1 Show InChI InChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenates after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50454798 (7-Benzylidenenaltrexone | BNTX) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4| Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR in guinea pig brain membranes measured after 60 mins by scintillation counting method				Bioorg Med Chem Lett 27: 666-669 (2017) Article DOI: 10.1016/j.bmcl.2016.11.057 BindingDB Entry DOI: 10.7270/Q22V2JBQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50007404 (1-(3-Chloro-phenyl)-4-phenethyl-piperazine | CHEMB...) Show SMILES Clc1cccc(c1)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C18H21ClN2/c19-17-7-4-8-18(15-17)21-13-11-20(12-14-21)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5-HT2 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50234130 (CHEMBL4094170) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CCc6ccccc6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:21:4.5.6| Show InChI InChI=1S/C31H29NO4/c33-24-12-11-22-18-25-31(35)19-23(17-21-9-5-2-6-10-21)27(34)29-30(31,26(22)28(24)36-29)14-16-32(25)15-13-20-7-3-1-4-8-20/h1-12,17,25,29,33,35H,13-16,18-19H2/b23-17+/t25-,29+,30+,31-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cells				Bioorg Med Chem Lett 27: 666-669 (2017) Article DOI: 10.1016/j.bmcl.2016.11.057 BindingDB Entry DOI: 10.7270/Q22V2JBQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50492998 (CHEMBL2413796) Show SMILES CN(C)[C@H]1CCCC[C@@H]1OC\C=C\c1ccccc1 |r| Show InChI InChI=1S/C17H25NO/c1-18(2)16-12-6-7-13-17(16)19-14-8-11-15-9-4-3-5-10-15/h3-5,8-11,16-17H,6-7,12-14H2,1-2H3/b11-8+/t16-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenates after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50494706 (CHEMBL3093268) Show SMILES Clc1ccccc1N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C18H21ClN2/c19-17-8-4-5-9-18(17)21-14-12-20(13-15-21)11-10-16-6-2-1-3-7-16/h1-9H,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](-)-sulpiride from dopamine D2 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50494707 (CHEMBL3093270) Show SMILES Clc1ccccc1N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C19H23ClN2/c20-18-10-4-5-11-19(18)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](-)-sulpiride from dopamine D2 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50109383 (1-(3-Phenyl-propyl)-4-pyridin-2-yl-piperazine | 1-...) Show SMILES C(CN1CCN(CC1)c1ccccn1)Cc1ccccc1 Show InChI InChI=1S/C18H23N3/c1-2-7-17(8-3-1)9-6-12-20-13-15-21(16-14-20)18-10-4-5-11-19-18/h1-5,7-8,10-11H,6,9,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50493001 (CHEMBL2413877) Show SMILES CN(CCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r| Show InChI InChI=1S/C24H33NO/c1-25(19-18-22-13-6-3-7-14-22)23-16-8-9-17-24(23)26-20-10-15-21-11-4-2-5-12-21/h2-7,11-14,23-24H,8-10,15-20H2,1H3/t23-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenates after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50234130 (CHEMBL4094170) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CCc6ccccc6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:21:4.5.6| Show InChI InChI=1S/C31H29NO4/c33-24-12-11-22-18-25-31(35)19-23(17-21-9-5-2-6-10-21)27(34)29-30(31,26(22)28(24)36-29)14-16-32(25)15-13-20-7-3-1-4-8-20/h1-12,17,25,29,33,35H,13-16,18-19H2/b23-17+/t25-,29+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human DOR expressed in CHO cells				Bioorg Med Chem Lett 27: 666-669 (2017) Article DOI: 10.1016/j.bmcl.2016.11.057 BindingDB Entry DOI: 10.7270/Q22V2JBQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50492997 (CHEMBL2413876) Show SMILES CN(CCc1ccccc1)[C@H]1CCCC[C@@H]1O |r| Show InChI InChI=1S/C15H23NO/c1-16(14-9-5-6-10-15(14)17)12-11-13-7-3-2-4-8-13/h2-4,7-8,14-15,17H,5-6,9-12H2,1H3/t14-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenates after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007412 (1-(3-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine...) Show SMILES Clc1cccc(c1)N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C19H23ClN2/c20-18-9-4-10-19(16-18)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16H,5,8,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](-)-sulpiride from dopamine D2 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50234129 (CHEMBL4073537) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CCCc6ccccc6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:22:4.5.6| Show InChI InChI=1S/C32H31NO4/c34-25-14-13-23-19-26-32(36)20-24(18-22-10-5-2-6-11-22)28(35)30-31(32,27(23)29(25)37-30)15-17-33(26)16-7-12-21-8-3-1-4-9-21/h1-6,8-11,13-14,18,26,30,34,36H,7,12,15-17,19-20H2/b24-18+/t26-,30+,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human DOR expressed in CHO cells				Bioorg Med Chem Lett 27: 666-669 (2017) Article DOI: 10.1016/j.bmcl.2016.11.057 BindingDB Entry DOI: 10.7270/Q22V2JBQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50234129 (CHEMBL4073537) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CCCc6ccccc6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:22:4.5.6| Show InChI InChI=1S/C32H31NO4/c34-25-14-13-23-19-26-32(36)20-24(18-22-10-5-2-6-11-22)28(35)30-31(32,27(23)29(25)37-30)15-17-33(26)16-7-12-21-8-3-1-4-9-21/h1-6,8-11,13-14,18,26,30,34,36H,7,12,15-17,19-20H2/b24-18+/t26-,30+,31+,32-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cells				Bioorg Med Chem Lett 27: 666-669 (2017) Article DOI: 10.1016/j.bmcl.2016.11.057 BindingDB Entry DOI: 10.7270/Q22V2JBQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007404 (1-(3-Chloro-phenyl)-4-phenethyl-piperazine | CHEMB...) Show SMILES Clc1cccc(c1)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C18H21ClN2/c19-17-7-4-8-18(15-17)21-13-11-20(12-14-21)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	327	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](-)-sulpiride from dopamine D2 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494708 (CHEMBL3093269) Show SMILES Clc1ccc(cc1)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C18H21ClN2/c19-17-6-8-18(9-7-17)21-14-12-20(13-15-21)11-10-16-4-2-1-3-5-16/h1-9H,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter in rat brainstem after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50007410 (1-(4-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine...) Show SMILES Clc1ccc(cc1)N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C19H23ClN2/c20-18-8-10-19(11-9-18)22-15-13-21(14-16-22)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	391	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5-HT2 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50494707 (CHEMBL3093270) Show SMILES Clc1ccccc1N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C19H23ClN2/c20-18-10-4-5-11-19(18)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	409	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter in rat brainstem after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50494707 (CHEMBL3093270) Show SMILES Clc1ccccc1N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C19H23ClN2/c20-18-10-4-5-11-19(18)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	482	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]WIN 35428 from dopamine transporter in rat striatum after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50494706 (CHEMBL3093268) Show SMILES Clc1ccccc1N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C18H21ClN2/c19-17-8-4-5-9-18(17)21-14-12-20(13-15-21)11-10-16-6-2-1-3-7-16/h1-9H,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	484	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5-HT2 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50007412 (1-(3-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine...) Show SMILES Clc1cccc(c1)N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C19H23ClN2/c20-18-9-4-10-19(16-18)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16H,5,8,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	488	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter in rat brainstem after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50007412 (1-(3-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine...) Show SMILES Clc1cccc(c1)N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C19H23ClN2/c20-18-9-4-10-19(16-18)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16H,5,8,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	498	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5-HT2 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50494708 (CHEMBL3093269) Show SMILES Clc1ccc(cc1)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C18H21ClN2/c19-17-6-8-18(9-7-17)21-14-12-20(13-15-21)11-10-16-4-2-1-3-5-16/h1-9H,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	518	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5-HT2 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50234130 (CHEMBL4094170) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CCc6ccccc6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:21:4.5.6| Show InChI InChI=1S/C31H29NO4/c33-24-12-11-22-18-25-31(35)19-23(17-21-9-5-2-6-10-21)27(34)29-30(31,26(22)28(24)36-29)14-16-32(25)15-13-20-7-3-1-4-8-20/h1-12,17,25,29,33,35H,13-16,18-19H2/b23-17+/t25-,29+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	602	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human KOR expressed in CHO cells				Bioorg Med Chem Lett 27: 666-669 (2017) Article DOI: 10.1016/j.bmcl.2016.11.057 BindingDB Entry DOI: 10.7270/Q22V2JBQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007410 (1-(4-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine...) Show SMILES Clc1ccc(cc1)N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C19H23ClN2/c20-18-8-10-19(11-9-18)22-15-13-21(14-16-22)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](-)-sulpiride from dopamine D2 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50492999 (CHEMBL2413879) Show SMILES CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r| Show InChI InChI=1S/C25H35NO/c1-26(20-10-16-22-12-4-2-5-13-22)24-18-8-9-19-25(24)27-21-11-17-23-14-6-3-7-15-23/h2-7,12-15,24-25H,8-11,16-21H2,1H3/t24-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenates after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50234129 (CHEMBL4073537) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CCCc6ccccc6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:22:4.5.6| Show InChI InChI=1S/C32H31NO4/c34-25-14-13-23-19-26-32(36)20-24(18-22-10-5-2-6-11-22)28(35)30-31(32,27(23)29(25)37-30)15-17-33(26)16-7-12-21-8-3-1-4-9-21/h1-6,8-11,13-14,18,26,30,34,36H,7,12,15-17,19-20H2/b24-18+/t26-,30+,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	793	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human KOR expressed in CHO cells				Bioorg Med Chem Lett 27: 666-669 (2017) Article DOI: 10.1016/j.bmcl.2016.11.057 BindingDB Entry DOI: 10.7270/Q22V2JBQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50007404 (1-(3-Chloro-phenyl)-4-phenethyl-piperazine | CHEMB...) Show SMILES Clc1cccc(c1)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C18H21ClN2/c19-17-7-4-8-18(15-17)21-13-11-20(12-14-21)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	802	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter in rat brainstem after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50494708 (CHEMBL3093269) Show SMILES Clc1ccc(cc1)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C18H21ClN2/c19-17-6-8-18(9-7-17)21-14-12-20(13-15-21)11-10-16-4-2-1-3-5-16/h1-9H,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	834	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](-)-sulpiride from dopamine D2 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair

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