Compile Data Set for Download or QSAR

Found 145 hits Enz. Inhib. hit(s) with all data for entry = 50037136   

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))	BDBM50127388 (3-(4-Isopropenyl-phenyl)-8-aza-bicyclo[3.2.1]octan...) Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(cc1)C(C)=C)N2 |THB:2:4:20:6.7,11:10:20:6.7| Show InChI InChI=1S/C18H23NO2/c1-11(2)12-4-6-13(7-5-12)15-10-14-8-9-16(19-14)17(15)18(20)21-3/h4-7,14-17,19H,1,8-10H2,2-3H3/t14-,15-,16?,17?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50127395 (3-(4-Ethyl-3-iodo-phenyl)-8-aza-bicyclo[3.2.1]octa...) Show SMILES CCc1ccc(cc1I)[C@H]1C[C@H]2CCC(N2)C1C(=O)OC |THB:5:9:15:13.12,17:16:15:13.12| Show InChI InChI=1S/C17H22INO2/c1-3-10-4-5-11(8-14(10)18)13-9-12-6-7-15(19-12)16(13)17(20)21-2/h4-5,8,12-13,15-16,19H,3,6-7,9H2,1-2H3/t12-,13-,15?,16?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50453398 (CHEMBL2373961) Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)OC)N2C |r,TLB:8:6:3.2:20,THB:16:5:3.2:20| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3/t10-,11+,14?,15?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50045775 ((3R,4R)3-[1-(3-Cyclohexyl-3-hydroxy-propyl)-3,4-di...) Show SMILES C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-,22+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]DAMGO to Opioid receptor mu 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50005576 ((3S,8R)-3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3...) Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50127384 (3-(3-Fluoro-4-methyl-phenyl)-8-aza-bicyclo[3.2.1]o...) Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)c(F)c1)N2 |THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H20FNO2/c1-9-3-4-10(7-13(9)17)12-8-11-5-6-14(18-11)15(12)16(19)20-2/h3-4,7,11-12,14-15,18H,5-6,8H2,1-2H3/t11-,12-,14?,15?/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]nisoxetine binding at norepinephrine transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50027011 (CHEMBL2310926) Show SMILES [H][C@@]12CCC(C([C@H](C1)c1ccc(Cl)cc1)C(=O)OCCc1ccc(cc1)N=S)N2C |r,THB:15:5:3.2:28,8:6:3.2:28| Show InChI InChI=1S/C23H25ClN2O2S/c1-26-19-10-11-21(26)22(20(14-19)16-4-6-17(24)7-5-16)23(27)28-13-12-15-2-8-18(25-29)9-3-15/h2-9,19-22H,10-14H2,1H3/t19-,20-,21?,22?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50064521 (3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-phenyl-allyl)-pip...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H27NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-12,16,18,24H,13-15,17H2,1-2H3/b10-7+/t18-,22+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]DAMGO to Opioid receptor mu 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50127386 (3-(4-Ethyl-phenyl)-8-aza-bicyclo[3.2.1]octane-2-ca...) Show SMILES CCc1ccc(cc1)[C@H]1C[C@H]2CCC(N2)C1C(=O)OC |THB:16:15:14:12.11,5:8:14:12.11| Show InChI InChI=1S/C17H23NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h4-7,13-16,18H,3,8-10H2,1-2H3/t13-,14-,15?,16?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50064515 (3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-o-tolyl-allyl)-pi...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2C)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C23H29NO/c1-18-8-4-5-9-20(18)10-7-14-24-15-13-23(3,19(2)17-24)21-11-6-12-22(25)16-21/h4-12,16,19,25H,13-15,17H2,1-3H3/b10-7+/t19-,23+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]DAMGO to Opioid receptor mu 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50127392 (3-(4-Chloro-3-methyl-phenyl)-8-methyl-8-aza-bicycl...) Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C |THB:20:19:4.10.9:6.7,11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13-,15?,16?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50453091 (CHEMBL2310929) Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(Br)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19| Show InChI InChI=1S/C16H20BrNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14?,15?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50064518 (3-{(3R,4R)-1-[(E)-3-(2-Chloro-phenyl)-allyl]-3,4-d...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2Cl)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H26ClNO/c1-17-16-24(13-6-8-18-7-3-4-11-21(18)23)14-12-22(17,2)19-9-5-10-20(25)15-19/h3-11,15,17,25H,12-14,16H2,1-2H3/b8-6+/t17-,22+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]DAMGO to Opioid receptor mu 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O 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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]DAMGO to Opioid receptor mu 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50118185 ((3S,8R)-3-(4-Ethyl-phenyl)-8-methyl-8-aza-bicyclo[...) Show SMILES CCc1ccc(cc1)[C@H]1C[C@H]2CCC(C1C(=O)OC)N2C |THB:15:14:19:12.11,5:8:19:12.11,20:19:14.8.9:12.11| Show InChI InChI=1S/C18H25NO2/c1-4-12-5-7-13(8-6-12)15-11-14-9-10-16(19(14)2)17(15)18(20)21-3/h5-8,14-17H,4,9-11H2,1-3H3/t14-,15-,16?,17?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50127392 (3-(4-Chloro-3-methyl-phenyl)-8-methyl-8-aza-bicycl...) Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C |THB:20:19:4.10.9:6.7,11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13-,15?,16?/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]nisoxetine binding at norepinephrine transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50127396 (3-(3-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-car...) Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1cccc(I)c1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-5-6-13(14)17-11)9-3-2-4-10(16)7-9/h2-4,7,11-14,17H,5-6,8H2,1H3/t11-,12-,13?,14?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50035738 ((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O 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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]U69, 593 to Opioid receptor kappa 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50127385 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic ...) Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3/t12-,13-,14?,15?/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]nisoxetine binding at norepinephrine transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50102710 (3-(4-Hydroxy-phenyl)-N-{(S)-1-[(3R,4R)-4-(3-hydrox...) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C27H38N2O3/c1-19(2)25(28-26(32)13-10-21-8-11-23(30)12-9-21)18-29-15-14-27(4,20(3)17-29)22-6-5-7-24(31)16-22/h5-9,11-12,16,19-20,25,30-31H,10,13-15,17-18H2,1-4H3,(H,28,32)/t20-,25+,27+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]U69, 593 to Opioid receptor kappa 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50453398 (CHEMBL2373961) Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)OC)N2C |r,TLB:8:6:3.2:20,THB:16:5:3.2:20| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3/t10-,11+,14?,15?/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity for norepinephrine transporter determined by [3H]nisoxetine displacement.				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50005576 ((3S,8R)-3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3...) Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15?/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]nisoxetine binding at norepinephrine transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50035738 ((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]nisoxetine binding at norepinephrine transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50039990 ((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...) Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19| Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15?,16?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50453091 (CHEMBL2310929) Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(Br)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19| Show InChI InChI=1S/C16H20BrNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14?,15?/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity for norepinephrine transporter determined by [3H]nisoxetine displacement.				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50127384 (3-(3-Fluoro-4-methyl-phenyl)-8-aza-bicyclo[3.2.1]o...) Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)c(F)c1)N2 |THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H20FNO2/c1-9-3-4-10(7-13(9)17)12-8-11-5-6-14(18-11)15(12)16(19)20-2/h3-4,7,11-12,14-15,18H,5-6,8H2,1-2H3/t11-,12-,14?,15?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50045775 ((3R,4R)3-[1-(3-Cyclohexyl-3-hydroxy-propyl)-3,4-di...) Show SMILES C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-,22+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]U69, 593 to Opioid receptor kappa 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50039990 ((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...) Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19| Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15?,16?/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity for norepinephrine transporter determined by [3H]nisoxetine displacement.				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50064518 (3-{(3R,4R)-1-[(E)-3-(2-Chloro-phenyl)-allyl]-3,4-d...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2Cl)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H26ClNO/c1-17-16-24(13-6-8-18-7-3-4-11-21(18)23)14-12-22(17,2)19-9-5-10-20(25)15-19/h3-11,15,17,25H,12-14,16H2,1-2H3/b8-6+/t17-,22+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]U69, 593 to Opioid receptor kappa 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50064515 (3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-o-tolyl-allyl)-pi...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2C)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C23H29NO/c1-18-8-4-5-9-20(18)10-7-14-24-15-13-23(3,19(2)17-24)21-11-6-12-22(25)16-21/h4-12,16,19,25H,13-15,17H2,1-3H3/b10-7+/t19-,23+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]U69, 593 to Opioid receptor kappa 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50127385 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic ...) Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3/t12-,13-,14?,15?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50127386 (3-(4-Ethyl-phenyl)-8-aza-bicyclo[3.2.1]octane-2-ca...) Show SMILES CCc1ccc(cc1)[C@H]1C[C@H]2CCC(N2)C1C(=O)OC |THB:16:15:14:12.11,5:8:14:12.11| Show InChI InChI=1S/C17H23NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h4-7,13-16,18H,3,8-10H2,1-2H3/t13-,14-,15?,16?/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity for norepinephrine transporter determined by [3H]nisoxetine displacement.				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50127388 (3-(4-Isopropenyl-phenyl)-8-aza-bicyclo[3.2.1]octan...) Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(cc1)C(C)=C)N2 |THB:2:4:20:6.7,11:10:20:6.7| Show InChI InChI=1S/C18H23NO2/c1-11(2)12-4-6-13(7-5-12)15-10-14-8-9-16(19-14)17(15)18(20)21-3/h4-7,14-17,19H,1,8-10H2,2-3H3/t14-,15-,16?,17?/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]nisoxetine binding at norepinephrine transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50127395 (3-(4-Ethyl-3-iodo-phenyl)-8-aza-bicyclo[3.2.1]octa...) Show SMILES CCc1ccc(cc1I)[C@H]1C[C@H]2CCC(N2)C1C(=O)OC |THB:5:9:15:13.12,17:16:15:13.12| Show InChI InChI=1S/C17H22INO2/c1-3-10-4-5-11(8-14(10)18)13-9-12-6-7-15(19-12)16(13)17(20)21-2/h4-5,8,12-13,15-16,19H,3,6-7,9H2,1-2H3/t12-,13-,15?,16?/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]nisoxetine binding at norepinephrine transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O 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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]DADLE to Opioid receptor delta 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM22418 (Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50127387 (3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CN(C)C(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C |THB:3:5:19:7.8,12:11:19:7.8,20:19:5.11.10:7.8| Show InChI InChI=1S/C17H23ClN2O/c1-19(2)17(21)16-14(11-4-6-12(18)7-5-11)10-13-8-9-15(16)20(13)3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50064521 (3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-phenyl-allyl)-pip...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H27NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-12,16,18,24H,13-15,17H2,1-2H3/b10-7+/t18-,22+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]U69, 593 to Opioid receptor kappa 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50064515 (3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-o-tolyl-allyl)-pi...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2C)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C23H29NO/c1-18-8-4-5-9-20(18)10-7-14-24-15-13-23(3,19(2)17-24)21-11-6-12-22(25)16-21/h4-12,16,19,25H,13-15,17H2,1-3H3/b10-7+/t19-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]DADLE to Opioid receptor delta 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50035734 (CHEMBL1643896 | RTI-229 | [3-(4-Iodo-phenyl)-8-met...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)N1CCCC1)N2C |r,TLB:24:23:7.8.6:2.3| Show InChI InChI=1S/C19H25IN2O/c1-21-15-8-9-17(21)18(19(23)22-10-2-3-11-22)16(12-15)13-4-6-14(20)7-5-13/h4-7,15-18H,2-3,8-12H2,1H3/t15-,16+,17+,18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50064518 (3-{(3R,4R)-1-[(E)-3-(2-Chloro-phenyl)-allyl]-3,4-d...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2Cl)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H26ClNO/c1-17-16-24(13-6-8-18-7-3-4-11-21(18)23)14-12-22(17,2)19-9-5-10-20(25)15-19/h3-11,15,17,25H,12-14,16H2,1-2H3/b8-6+/t17-,22+/m0/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
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]DADLE to Opioid receptor delta 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50366564 (CHEMBL1790051 | CHEMBL83729 | WIN-35065-2) Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7| Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50045775 ((3R,4R)3-[1-(3-Cyclohexyl-3-hydroxy-propyl)-3,4-di...) Show SMILES C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	198	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]DADLE to Opioid receptor delta 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50033127 (3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3| Show InChI InChI=1S/C21H22ClNO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50127383 (3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-isoxazol-...) Show SMILES CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccccc1 |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3| Show InChI InChI=1S/C23H23ClN2O/c1-26-18-11-12-21(26)23(19(13-18)15-7-9-17(24)10-8-15)22-14-20(25-27-22)16-5-3-2-4-6-16/h2-10,14,18-19,21,23H,11-13H2,1H3/t18-,19-,21?,23?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50127398 (8-Methyl-2-phenyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oc...) Show SMILES CN1[C@@H]2CCC1C([C@H](C2)c1ccc(C)cc1)c1ccccc1 |TLB:9:7:1:4.3,16:6:1:4.3,THB:0:1:7.6.8:4.3| Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19-,20?,21?/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity for norepinephrine transporter determined by [3H]nisoxetine displacement.				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50127383 (3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-isoxazol-...) Show SMILES CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccccc1 |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3| Show InChI InChI=1S/C23H23ClN2O/c1-26-18-11-12-21(26)23(19(13-18)15-7-9-17(24)10-8-15)22-14-20(25-27-22)16-5-3-2-4-6-16/h2-10,14,18-19,21,23H,11-13H2,1H3/t18-,19-,21?,23?/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	304	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity for norepinephrine transporter determined by [3H]nisoxetine displacement.				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50064521 (3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-phenyl-allyl)-pip...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H27NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-12,16,18,24H,13-15,17H2,1-2H3/b10-7+/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	322	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]DADLE to Opioid receptor delta 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50102710 (3-(4-Hydroxy-phenyl)-N-{(S)-1-[(3R,4R)-4-(3-hydrox...) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C27H38N2O3/c1-19(2)25(28-26(32)13-10-21-8-11-23(30)12-9-21)18-29-15-14-27(4,20(3)17-29)22-6-5-7-24(31)16-22/h5-9,11-12,16,19-20,25,30-31H,10,13-15,17-18H2,1-4H3,(H,28,32)/t20-,25+,27+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	393	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]DAMGO to Opioid receptor mu 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair

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