Compile Data Set for Download or QSAR

Found 279 hits with Last Name = 'si' and Initial = 'yg'   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303629 (17-(Cyclopropylmethyl)-N-(4-methoxyphenyl)morphina...) Show SMILES COc1ccc(Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r| Show InChI InChI=1S/C27H34N2O/c1-30-23-11-9-21(10-12-23)28-22-8-7-20-16-26-24-4-2-3-13-27(24,25(20)17-22)14-15-29(26)18-19-5-6-19/h7-12,17,19,24,26,28H,2-6,13-16,18H2,1H3/t24-,26+,27+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0260	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]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50303629 (17-(Cyclopropylmethyl)-N-(4-methoxyphenyl)morphina...) Show SMILES COc1ccc(Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r| Show InChI InChI=1S/C27H34N2O/c1-30-23-11-9-21(10-12-23)28-22-8-7-20-16-26-24-4-2-3-13-27(24,25(20)17-22)14-15-29(26)18-19-5-6-19/h7-12,17,19,24,26,28H,2-6,13-16,18H2,1H3/t24-,26+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	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]U69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50135800 ((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50303630 (17-(Cyclopropylmethyl)-N-phenylmorphinan-3-amine |...) Show SMILES C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2ccccc2)cc31 |r| Show InChI InChI=1S/C26H32N2/c1-2-6-21(7-3-1)27-22-12-11-20-16-25-23-8-4-5-13-26(23,24(20)17-22)14-15-28(25)18-19-9-10-19/h1-3,6-7,11-12,17,19,23,25,27H,4-5,8-10,13-16,18H2/t23-,25+,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0470	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]U69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50135800 ((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50135808 ((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7| Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0790	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]U69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303630 (17-(Cyclopropylmethyl)-N-phenylmorphinan-3-amine |...) Show SMILES C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2ccccc2)cc31 |r| Show InChI InChI=1S/C26H32N2/c1-2-6-21(7-3-1)27-22-12-11-20-16-25-23-8-4-5-13-26(23,24(20)17-22)14-15-28(25)18-19-9-10-19/h1-3,6-7,11-12,17,19,23,25,27H,4-5,8-10,13-16,18H2/t23-,25+,26+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	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]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007422 ((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...) Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents 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]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50135808 ((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7| Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.230	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]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303628 (CHEMBL571998 | N-Benzyl-17-(cyclopropylmethyl)morp...) Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H34N2/c1-2-6-20(7-3-1)18-28-23-12-11-22-16-26-24-8-4-5-13-27(24,25(22)17-23)14-15-29(26)19-21-9-10-21/h1-3,6-7,11-12,17,21,24,26,28H,4-5,8-10,13-16,18-19H2/t24-,26+,27+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	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]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303625 (17-(Cyclopropylmethyl)-N-(4-methoxybenzyl)morphina...) Show SMILES COc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r| Show InChI InChI=1S/C28H36N2O/c1-31-24-11-7-20(8-12-24)18-29-23-10-9-22-16-27-25-4-2-3-13-28(25,26(22)17-23)14-15-30(27)19-21-5-6-21/h7-12,17,21,25,27,29H,2-6,13-16,18-19H2,1H3/t25-,27+,28+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	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]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50303628 (CHEMBL571998 | N-Benzyl-17-(cyclopropylmethyl)morp...) Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H34N2/c1-2-6-20(7-3-1)18-28-23-12-11-22-16-26-24-8-4-5-13-27(24,25(22)17-23)14-15-29(26)19-21-9-10-21/h1-3,6-7,11-12,17,21,24,26,28H,4-5,8-10,13-16,18-19H2/t24-,26+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	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]U69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303634 (17-Methylmorphinan-3-yl 4-Iodophenyl Carbamate | C...) Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC(=O)Nc2ccc(I)cc2)cc31 |r| Show InChI InChI=1S/C24H27IN2O2/c1-27-13-12-24-11-3-2-4-20(24)22(27)14-16-5-10-19(15-21(16)24)29-23(28)26-18-8-6-17(25)7-9-18/h5-10,15,20,22H,2-4,11-14H2,1H3,(H,26,28)/t20-,22+,24+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	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]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50007422 ((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...) Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.440	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]domperidone from human dopamine D3 receptor expressed in human HEK293 cells by scintillation counting				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50303625 (17-(Cyclopropylmethyl)-N-(4-methoxybenzyl)morphina...) Show SMILES COc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r| Show InChI InChI=1S/C28H36N2O/c1-31-24-11-7-20(8-12-24)18-29-23-10-9-22-16-27-25-4-2-3-13-28(25,26(22)17-23)14-15-30(27)19-21-5-6-21/h7-12,17,21,25,27,29H,2-6,13-16,18-19H2,1H3/t25-,27+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	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]U69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50336860 (CHEMBL1672309 | N-propyl-2-fluoropropanoxy-11-mono...) Show SMILES CCCN1CCc2cc(OCCCF)cc-3c2[C@H]1Cc1cccc(O)c-31 |r| Show InChI InChI=1S/C22H26FNO2/c1-2-9-24-10-7-16-12-17(26-11-4-8-23)14-18-21(16)19(24)13-15-5-3-6-20(25)22(15)18/h3,5-6,12,14,19,25H,2,4,7-11,13H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	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]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303635 (17-(Cyclopropylmethyl)morphinan-3-yl 4-Iodophenyl ...) Show SMILES Ic1ccc(NC(=O)Oc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r| Show InChI InChI=1S/C27H31IN2O2/c28-20-7-9-21(10-8-20)29-26(31)32-22-11-6-19-15-25-23-3-1-2-12-27(23,24(19)16-22)13-14-30(25)17-18-4-5-18/h6-11,16,18,23,25H,1-5,12-15,17H2,(H,29,31)/t23-,25+,27+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.580	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]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50303632 (17-(Cyclobutylmethyl)-N-(4-methoxyphenyl)morphinan...) Show SMILES COc1ccc(Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:22:21:10.27.11:13| Show InChI InChI=1S/C28H36N2O/c1-31-24-12-10-22(11-13-24)29-23-9-8-21-17-27-25-7-2-3-14-28(25,26(21)18-23)15-16-30(27)19-20-5-4-6-20/h8-13,18,20,25,27,29H,2-7,14-17,19H2,1H3/t25-,27+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	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]U69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50303635 (17-(Cyclopropylmethyl)morphinan-3-yl 4-Iodophenyl ...) Show SMILES Ic1ccc(NC(=O)Oc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r| Show InChI InChI=1S/C27H31IN2O2/c28-20-7-9-21(10-8-20)29-26(31)32-22-11-6-19-15-25-23-3-1-2-12-27(23,24(19)16-22)13-14-30(25)17-18-4-5-18/h6-11,16,18,23,25H,1-5,12-15,17H2,(H,29,31)/t23-,25+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	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]U69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303632 (17-(Cyclobutylmethyl)-N-(4-methoxyphenyl)morphinan...) Show SMILES COc1ccc(Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:22:21:10.27.11:13| Show InChI InChI=1S/C28H36N2O/c1-31-24-12-10-22(11-13-24)29-23-9-8-21-17-27-25-7-2-3-14-28(25,26(21)18-23)15-16-30(27)19-20-5-4-6-20/h8-13,18,20,25,27,29H,2-7,14-17,19H2,1H3/t25-,27+,28+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	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]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50303608 (17-N-(Cyclobutylmethyl)-3-hydroxymorphinan-2-carba...) Show SMILES Oc1cc2c(C[C@@H]3[C@@H]4CCCC[C@]24CCN3CC2CCC2)cc1CN=O |r| Show InChI InChI=1S/C22H30N2O2/c25-21-12-19-16(10-17(21)13-23-26)11-20-18-6-1-2-7-22(18,19)8-9-24(20)14-15-4-3-5-15/h10,12,15,18,20,25H,1-9,11,13-14H2/t18-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	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]U69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303623 (17-(Cyclopropylmethyl)-N-(4-iodobenzyl)morphinan-3...) Show SMILES Ic1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r| Show InChI InChI=1S/C27H33IN2/c28-22-9-6-19(7-10-22)17-29-23-11-8-21-15-26-24-3-1-2-12-27(24,25(21)16-23)13-14-30(26)18-20-4-5-20/h6-11,16,20,24,26,29H,1-5,12-15,17-18H2/t24-,26+,27+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	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]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50303623 (17-(Cyclopropylmethyl)-N-(4-iodobenzyl)morphinan-3...) Show SMILES Ic1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r| Show InChI InChI=1S/C27H33IN2/c28-22-9-6-19(7-10-22)17-29-23-11-8-21-15-26-24-3-1-2-12-27(24,25(21)16-23)13-14-30(26)18-20-4-5-20/h6-11,16,20,24,26,29H,1-5,12-15,17-18H2/t24-,26+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	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]U69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50336863 ((R)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro...) Show SMILES CCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1cccc(O)c-31 |r| Show InChI InChI=1S/C20H22FNO2/c1-2-22-8-6-14-10-15(24-9-7-21)12-16-19(14)17(22)11-13-4-3-5-18(23)20(13)16/h3-5,10,12,17,23H,2,6-9,11H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.830	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]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50303598 (17-(Cyclobutylmethyl)morphinan-3-yl 4-Iodophenyl C...) Show SMILES Ic1ccc(NC(=O)Oc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:24:23:12.29.13:15| Show InChI InChI=1S/C28H33IN2O2/c29-21-8-10-22(11-9-21)30-27(32)33-23-12-7-20-16-26-24-6-1-2-13-28(24,25(20)17-23)14-15-31(26)18-19-4-3-5-19/h7-12,17,19,24,26H,1-6,13-16,18H2,(H,30,32)/t24-,26+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.990	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]U69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50007422 ((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...) Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity to dopamine D1 receptor high binding site by radioligand displacement assay				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02	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]domperidone from human dopamine D3 receptor expressed in human HEK293 cells by scintillation counting				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50378890 (CHEMBL1743604) Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:32,38,44,TLB:48:47:37:39.40.43| Show InChI InChI=1S/C40H47N3O6/c1-22-16-27(44)17-23(2)28(22)20-31(41(3)4)38(46)43-21-26-9-7-6-8-24(26)18-32(43)39(47)48-34-13-10-25-19-30-29-11-12-33(45)37-40(29,14-15-42(30)5)35(25)36(34)49-37/h6-13,16-17,25,29-33,35,37,44-45H,14-15,18-21H2,1-5H3/t25?,29-,30+,31-,32-,33-,35?,37-,40-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting				Eur J Med Chem 46: 799-803 (2011) Article DOI: 10.1016/j.ejmech.2010.12.001 BindingDB Entry DOI: 10.7270/Q2CF9R3C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303598 (17-(Cyclobutylmethyl)morphinan-3-yl 4-Iodophenyl C...) Show SMILES Ic1ccc(NC(=O)Oc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:24:23:12.29.13:15| Show InChI InChI=1S/C28H33IN2O2/c29-21-8-10-22(11-9-21)30-27(32)33-23-12-7-20-16-26-24-6-1-2-13-28(24,25(20)17-23)14-15-31(26)18-19-4-3-5-19/h7-12,17,19,24,26H,1-6,13-16,18H2,(H,30,32)/t24-,26+,28+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50336852 ((R)-2-(3-fluoropropoxy)-6-propyl-5,6,6a,7-tetrahyd...) Show SMILES CCCN1CCc2cc(OCCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C22H26FNO3/c1-2-8-24-9-6-15-11-16(27-10-3-7-23)13-17-20(15)18(24)12-14-4-5-19(25)22(26)21(14)17/h4-5,11,13,18,25-26H,2-3,6-10,12H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]domperidone from human cloned dopamine D3 receptor high binding site expressed in mouse CCL1-3 cells by scintillation counting				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50336864 ((R)-2-(2-fluoroethoxy)-6-methyl-5,6,6a,7-tetrahydr...) Show SMILES CN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1cccc(O)c-31 |r| Show InChI InChI=1S/C19H20FNO2/c1-21-7-5-13-9-14(23-8-6-20)11-15-18(13)16(21)10-12-3-2-4-17(22)19(12)15/h2-4,9,11,16,22H,5-8,10H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM84636 (CHEMBL27559 | NPA-11-OH-R,(+)) Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31 |r| Show InChI InChI=1S/C19H21NO/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/h3-8,16,21H,2,9-12H2,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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]domperidone from human cloned dopamine D3 receptor high binding site expressed in mouse CCL1-3 cells by scintillation counting				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50378889 (CHEMBL1743605) Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:37,43,49,TLB:53:52:42:44.45.48| Show InChI InChI=1S/C43H52N4O7/c1-24-18-29(48)19-25(2)30(24)22-34(45(3)4)42(52)47-23-28-9-7-6-8-26(28)20-33(47)41(51)44-16-14-37(50)53-36-13-10-27-21-32-31-11-12-35(49)40-43(31,15-17-46(32)5)38(27)39(36)54-40/h6-13,18-19,27,31-35,38,40,48-49H,14-17,20-23H2,1-5H3,(H,44,51)/t27?,31-,32+,33-,34-,35-,38?,40-,43-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting				Eur J Med Chem 46: 799-803 (2011) Article DOI: 10.1016/j.ejmech.2010.12.001 BindingDB Entry DOI: 10.7270/Q2CF9R3C
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50378889 (CHEMBL1743605) Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:37,43,49,TLB:53:52:42:44.45.48| Show InChI InChI=1S/C43H52N4O7/c1-24-18-29(48)19-25(2)30(24)22-34(45(3)4)42(52)47-23-28-9-7-6-8-26(28)20-33(47)41(51)44-16-14-37(50)53-36-13-10-27-21-32-31-11-12-35(49)40-43(31,15-17-46(32)5)38(27)39(36)54-40/h6-13,18-19,27,31-35,38,40,48-49H,14-17,20-23H2,1-5H3,(H,44,51)/t27?,31-,32+,33-,34-,35-,38?,40-,43-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting				Eur J Med Chem 46: 799-803 (2011) Article DOI: 10.1016/j.ejmech.2010.12.001 BindingDB Entry DOI: 10.7270/Q2CF9R3C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50303633 (17-(Cyclobutylmethyl)-N-phenylmorphinan-3-amine | ...) Show SMILES C(C1CCC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2ccccc2)cc31 |r,TLB:0:5:16.28.15:13| Show InChI InChI=1S/C27H34N2/c1-2-9-22(10-3-1)28-23-13-12-21-17-26-24-11-4-5-14-27(24,25(21)18-23)15-16-29(26)19-20-7-6-8-20/h1-3,9-10,12-13,18,20,24,26,28H,4-8,11,14-17,19H2/t24-,26+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50378890 (CHEMBL1743604) Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:32,38,44,TLB:48:47:37:39.40.43| Show InChI InChI=1S/C40H47N3O6/c1-22-16-27(44)17-23(2)28(22)20-31(41(3)4)38(46)43-21-26-9-7-6-8-24(26)18-32(43)39(47)48-34-13-10-25-19-30-29-11-12-33(45)37-40(29,14-15-42(30)5)35(25)36(34)49-37/h6-13,16-17,25,29-33,35,37,44-45H,14-15,18-21H2,1-5H3/t25?,29-,30+,31-,32-,33-,35?,37-,40-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting				Eur J Med Chem 46: 799-803 (2011) Article DOI: 10.1016/j.ejmech.2010.12.001 BindingDB Entry DOI: 10.7270/Q2CF9R3C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50303600 (CHEMBL571561 | N-[17-(Cyclopropylmethyl)morphinan-...) Show SMILES O=C(Nc1ccccc1)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C27H33N3O/c31-26(28-21-6-2-1-3-7-21)29-22-12-11-20-16-25-23-8-4-5-13-27(23,24(20)17-22)14-15-30(25)18-19-9-10-19/h1-3,6-7,11-12,17,19,23,25H,4-5,8-10,13-16,18H2,(H2,28,29,31)/t23-,25+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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]U69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303633 (17-(Cyclobutylmethyl)-N-phenylmorphinan-3-amine | ...) Show SMILES C(C1CCC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2ccccc2)cc31 |r,TLB:0:5:16.28.15:13| Show InChI InChI=1S/C27H34N2/c1-2-9-22(10-3-1)28-23-13-12-21-17-26-24-11-4-5-14-27(24,25(21)18-23)15-16-29(26)19-20-7-6-8-20/h1-3,9-10,12-13,18,20,24,26,28H,4-8,11,14-17,19H2/t24-,26+,27+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50303629 (17-(Cyclopropylmethyl)-N-(4-methoxyphenyl)morphina...) Show SMILES COc1ccc(Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r| Show InChI InChI=1S/C27H34N2O/c1-30-23-11-9-21(10-12-23)28-22-8-7-20-16-26-24-4-2-3-13-27(24,25(20)17-22)14-15-29(26)18-19-5-6-19/h7-12,17,19,24,26,28H,2-6,13-16,18H2,1H3/t24-,26+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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]naltrindole from human delta opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303631 (CHEMBL571560 | N-Benzyl-17-(cyclobutylmethyl)morph...) Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccccc1 |r,TLB:17:16:5.22.6:8| Show InChI InChI=1S/C28H36N2/c1-2-7-21(8-3-1)19-29-24-13-12-23-17-27-25-11-4-5-14-28(25,26(23)18-24)15-16-30(27)20-22-9-6-10-22/h1-3,7-8,12-13,18,22,25,27,29H,4-6,9-11,14-17,19-20H2/t25-,27+,28+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001955 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.80	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]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50135800 ((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	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]naltrindole from human delta opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50336853 ((R)-2-(2-fluoroethoxy)-6-propyl-5,6,6a,7-tetrahydr...) Show SMILES CCCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C21H24FNO3/c1-2-7-23-8-5-14-10-15(26-9-6-22)12-16-19(14)17(23)11-13-3-4-18(24)21(25)20(13)16/h3-4,10,12,17,24-25H,2,5-9,11H2,1H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	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]domperidone from human cloned dopamine D3 receptor high binding site expressed in mouse CCL1-3 cells by scintillation counting				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50336859 ((R)-2-(2-fluoroethoxy)-6-methyl-5,6,6a,7-tetrahydr...) Show SMILES CN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C19H20FNO3/c1-21-6-4-12-8-13(24-7-5-20)10-14-17(12)15(21)9-11-2-3-16(22)19(23)18(11)14/h2-3,8,10,15,22-23H,4-7,9H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50214523 ((R)-10-hydroxymethyl-6-methyl-5,6,6a,7-tetrahydro-...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(CO)c(O)c-31 Show InChI InChI=1S/C18H19NO2/c1-19-8-7-11-3-2-4-14-16(11)15(19)9-12-5-6-13(10-20)18(21)17(12)14/h2-6,15,20-21H,7-10H2,1H3/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor				Bioorg Med Chem Lett 17: 4128-30 (2007) Article DOI: 10.1016/j.bmcl.2007.05.057 BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50336855 ((R)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro...) Show SMILES CCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C20H22FNO3/c1-2-22-7-5-13-9-14(25-8-6-21)11-15-18(13)16(22)10-12-3-4-17(23)20(24)19(12)15/h3-4,9,11,16,23-24H,2,5-8,10H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	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]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303626 (17-(Cyclopropylmethyl)-N,N-bis(4-methoxybenzyl)mor...) Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r,TLB:32:31:20.36.21:23| Show InChI InChI=1S/C36H44N2O2/c1-39-31-14-8-27(9-15-31)24-38(25-28-10-16-32(40-2)17-11-28)30-13-12-29-21-35-33-5-3-4-18-36(33,34(29)22-30)19-20-37(35)23-26-6-7-26/h8-17,22,26,33,35H,3-7,18-21,23-25H2,1-2H3/t33-,35+,36+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	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]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50001955 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.60	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]domperidone from human cloned dopamine D3 receptor expressed in mouse CCL1-3 cells by scintillation counting				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50013061 ((R)-2-fluoro-6-propyl-5,6,6a,7-tetrahydro-4H-diben...) Show SMILES CCCN1CCc2cc(F)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H20FNO2/c1-2-6-21-7-5-12-8-13(20)10-14-17(12)15(21)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,22-23H,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	2.70	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]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting				ACS Med Chem Lett 2: 189-194 (2011) Article DOI: 10.1021/ml1001689 BindingDB Entry DOI: 10.7270/Q2Z89DF8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50324028 ((S)-2-((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dime...) Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r| Show InChI InChI=1S/C23H28N2O4/c1-14-9-18(26)10-15(2)19(14)12-20(24(3)4)22(27)25-13-17-8-6-5-7-16(17)11-21(25)23(28)29/h5-10,20-21,26H,11-13H2,1-4H3,(H,28,29)/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting				Eur J Med Chem 46: 799-803 (2011) Article DOI: 10.1016/j.ejmech.2010.12.001 BindingDB Entry DOI: 10.7270/Q2CF9R3C
					More data for this Ligand-Target Pair

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