Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'mannina' and Initial = 'l'   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21125 ((5S,8R,10Z,13R)-13-[(2S)-2-amino-3-(4-hydroxypheny...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O |r,w:15.15| Show InChI InChI=1S/C28H33N5O7/c29-20(14-18-10-12-19(34)13-11-18)25(36)32-21-8-4-5-9-22(28(39)40)33-27(38)23(15-17-6-2-1-3-7-17)31-24(35)16-30-26(21)37/h1-7,10-13,20-23,34H,8-9,14-16,29H2,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t20-,21+,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.430	-53.5	n/a	n/a	0.830	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21129 ((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O Show InChI InChI=1S/C26H32N6O6S2/c27-18(10-16-6-8-17(33)9-7-16)24(36)32-21-14-40-39-13-20(23(28)35)31-26(38)19(11-15-4-2-1-3-5-15)30-22(34)12-29-25(21)37/h1-9,18-21,33H,10-14,27H2,(H2,28,35)(H,29,37)(H,30,34)(H,31,38)(H,32,36)/t18-,19-,20+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.550	-52.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21126 ((5S,8R,10E,13R)-13-[(2S)-2-amino-3-(4-hydroxypheny...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O |w:15.15| Show InChI InChI=1S/C28H33N5O7/c29-20(14-18-10-12-19(34)13-11-18)25(36)32-21-8-4-5-9-22(28(39)40)33-27(38)23(15-17-6-2-1-3-7-17)31-24(35)16-30-26(21)37/h1-7,10-13,20-23,34H,8-9,14-16,29H2,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t20-,21+,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.570	-52.8	n/a	n/a	0.880	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21129 ((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O Show InChI InChI=1S/C26H32N6O6S2/c27-18(10-16-6-8-17(33)9-7-16)24(36)32-21-14-40-39-13-20(23(28)35)31-26(38)19(11-15-4-2-1-3-5-15)30-22(34)12-29-25(21)37/h1-9,18-21,33H,10-14,27H2,(H2,28,35)(H,29,37)(H,30,34)(H,31,38)(H,32,36)/t18-,19-,20+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.822	-51.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21126 ((5S,8R,10E,13R)-13-[(2S)-2-amino-3-(4-hydroxypheny...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O |w:15.15| Show InChI InChI=1S/C28H33N5O7/c29-20(14-18-10-12-19(34)13-11-18)25(36)32-21-8-4-5-9-22(28(39)40)33-27(38)23(15-17-6-2-1-3-7-17)31-24(35)16-30-26(21)37/h1-7,10-13,20-23,34H,8-9,14-16,29H2,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t20-,21+,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	-50.7	n/a	n/a	2.65	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21125 ((5S,8R,10Z,13R)-13-[(2S)-2-amino-3-(4-hydroxypheny...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O |r,w:15.15| Show InChI InChI=1S/C28H33N5O7/c29-20(14-18-10-12-19(34)13-11-18)25(36)32-21-8-4-5-9-22(28(39)40)33-27(38)23(15-17-6-2-1-3-7-17)31-24(35)16-30-26(21)37/h1-7,10-13,20-23,34H,8-9,14-16,29H2,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t20-,21+,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.35	-50.6	n/a	n/a	2.35	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					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	1.60	-50.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21127 ((5S,8R,13R)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C28H35N5O7/c29-20(14-18-10-12-19(34)13-11-18)25(36)32-21-8-4-5-9-22(28(39)40)33-27(38)23(15-17-6-2-1-3-7-17)31-24(35)16-30-26(21)37/h1-3,6-7,10-13,20-23,34H,4-5,8-9,14-16,29H2,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t20-,21+,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.90	-46.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21128 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC=C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC=C)C(O)=O Show InChI InChI=1S/C30H37N5O7/c1-3-8-23(34-27(38)22(31)16-20-12-14-21(36)15-13-20)28(39)32-18-26(37)33-25(17-19-10-6-5-7-11-19)29(40)35-24(9-4-2)30(41)42/h3-7,10-15,22-25,36H,1-2,8-9,16-18,31H2,(H,32,39)(H,33,37)(H,34,38)(H,35,40)(H,41,42)/t22-,23+,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.10	-46.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50397109 (CHEMBL2171847) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23?,25-,26-,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	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM21129 ((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O Show InChI InChI=1S/C26H32N6O6S2/c27-18(10-16-6-8-17(33)9-7-16)24(36)32-21-14-40-39-13-20(23(28)35)31-26(38)19(11-15-4-2-1-3-5-15)30-22(34)12-29-25(21)37/h1-9,18-21,33H,10-14,27H2,(H2,28,35)(H,29,37)(H,30,34)(H,31,38)(H,32,36)/t18-,19-,20+,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	44.9	-41.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21127 ((5S,8R,13R)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C28H35N5O7/c29-20(14-18-10-12-19(34)13-11-18)25(36)32-21-8-4-5-9-22(28(39)40)33-27(38)23(15-17-6-2-1-3-7-17)31-24(35)16-30-26(21)37/h1-3,6-7,10-13,20-23,34H,4-5,8-9,14-16,29H2,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t20-,21+,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	56.9	-41.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50397110 (CHEMBL2171846) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23?,25-,26+,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	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21128 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC=C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC=C)C(O)=O Show InChI InChI=1S/C30H37N5O7/c1-3-8-23(34-27(38)22(31)16-20-12-14-21(36)15-13-20)28(39)32-18-26(37)33-25(17-19-10-6-5-7-11-19)29(40)35-24(9-4-2)30(41)42/h3-7,10-15,22-25,36H,1-2,8-9,16-18,31H2,(H,32,39)(H,33,37)(H,34,38)(H,35,40)(H,41,42)/t22-,23+,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	64.5	-41.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM21126 ((5S,8R,10E,13R)-13-[(2S)-2-amino-3-(4-hydroxypheny...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O |w:15.15| Show InChI InChI=1S/C28H33N5O7/c29-20(14-18-10-12-19(34)13-11-18)25(36)32-21-8-4-5-9-22(28(39)40)33-27(38)23(15-17-6-2-1-3-7-17)31-24(35)16-30-26(21)37/h1-7,10-13,20-23,34H,8-9,14-16,29H2,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t20-,21+,22+,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	74.8	-40.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50386560 (CHEMBL2048250) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C32H38N6O5/c33-23-18-28(38(19-23)32(43)25(34)15-22-11-13-24(39)14-12-22)31(42)37-27(17-21-9-5-2-6-10-21)30(41)36-26(29(35)40)16-20-7-3-1-4-8-20/h1-14,23,25-28,39H,15-19,33-34H2,(H2,35,40)(H,36,41)(H,37,42)/t23-,25-,26-,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from rat mu opioid receptor expressed in HN9.10 cells after 3 hrs by scintillation counting				J Med Chem 55: 3027-35 (2012) Article DOI: 10.1021/jm201402v BindingDB Entry DOI: 10.7270/Q2571D38
					More data for this Ligand-Target Pair
Opioid receptor delta 1 (Bos taurus)	BDBM50139013 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1	PDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in calf frontal cortex after 1 hr by gamma counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50139013 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/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	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM21125 ((5S,8R,10Z,13R)-13-[(2S)-2-amino-3-(4-hydroxypheny...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O |r,w:15.15| Show InChI InChI=1S/C28H33N5O7/c29-20(14-18-10-12-19(34)13-11-18)25(36)32-21-8-4-5-9-22(28(39)40)33-27(38)23(15-17-6-2-1-3-7-17)31-24(35)16-30-26(21)37/h1-7,10-13,20-23,34H,8-9,14-16,29H2,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t20-,21+,22+,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	576	-35.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	609	-35.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50386559 (CHEMBL2048248) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23-,25-,26-,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from rat mu opioid receptor expressed in HN9.10 cells after 3 hrs by scintillation counting				J Med Chem 55: 3027-35 (2012) Article DOI: 10.1021/jm201402v BindingDB Entry DOI: 10.7270/Q2571D38
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50397115 (CHEMBL2171850) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C32H37N5O6/c33-23-18-28(37(19-23)31(41)25(34)15-22-11-13-24(38)14-12-22)30(40)35-26(16-20-7-3-1-4-8-20)29(39)36-27(32(42)43)17-21-9-5-2-6-10-21/h1-14,23,25-28,38H,15-19,33-34H2,(H,35,40)(H,36,39)(H,42,43)/t23-,25-,26-,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	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50397113 (CHEMBL2171852) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C32H38N6O5/c33-23-18-28(38(19-23)32(43)25(34)15-22-11-13-24(39)14-12-22)31(42)37-27(17-21-9-5-2-6-10-21)30(41)36-26(29(35)40)16-20-7-3-1-4-8-20/h1-14,23,25-28,39H,15-19,33-34H2,(H2,35,40)(H,36,41)(H,37,42)/t23-,25-,26-,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	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50397109 (CHEMBL2171847) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23?,25-,26-,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	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50397110 (CHEMBL2171846) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23?,25-,26+,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	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50397116 (CHEMBL2171849) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C32H37N5O6/c33-23-18-28(37(19-23)31(41)25(34)15-22-11-13-24(38)14-12-22)30(40)35-26(16-20-7-3-1-4-8-20)29(39)36-27(32(42)43)17-21-9-5-2-6-10-21/h1-14,23,25-28,38H,15-19,33-34H2,(H,35,40)(H,36,39)(H,42,43)/t23-,25-,26+,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	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50386561 (CHEMBL2048249) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C32H37N5O6/c33-23-18-28(37(19-23)31(41)25(34)15-22-11-13-24(38)14-12-22)30(40)35-26(16-20-7-3-1-4-8-20)29(39)36-27(32(42)43)17-21-9-5-2-6-10-21/h1-14,23,25-28,38H,15-19,33-34H2,(H,35,40)(H,36,39)(H,42,43)/t23-,25-,26-,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from rat mu opioid receptor expressed in HN9.10 cells after 3 hrs by scintillation counting				J Med Chem 55: 3027-35 (2012) Article DOI: 10.1021/jm201402v BindingDB Entry DOI: 10.7270/Q2571D38
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50397114 (CHEMBL2171851) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C32H38N6O5/c33-23-18-28(38(19-23)32(43)25(34)15-22-11-13-24(39)14-12-22)31(42)37-27(17-21-9-5-2-6-10-21)30(41)36-26(29(35)40)16-20-7-3-1-4-8-20/h1-14,23,25-28,39H,15-19,33-34H2,(H2,35,40)(H,36,41)(H,37,42)/t23-,25-,26+,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	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM21128 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC=C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC=C)C(O)=O Show InChI InChI=1S/C30H37N5O7/c1-3-8-23(34-27(38)22(31)16-20-12-14-21(36)15-13-20)28(39)32-18-26(37)33-25(17-19-10-6-5-7-11-19)29(40)35-24(9-4-2)30(41)42/h3-7,10-15,22-25,36H,1-2,8-9,16-18,31H2,(H,32,39)(H,33,37)(H,34,38)(H,35,40)(H,41,42)/t22-,23+,24+,25-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.87E+3	-30.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM21127 ((5S,8R,13R)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C28H35N5O7/c29-20(14-18-10-12-19(34)13-11-18)25(36)32-21-8-4-5-9-22(28(39)40)33-27(38)23(15-17-6-2-1-3-7-17)31-24(35)16-30-26(21)37/h1-3,6-7,10-13,20-23,34H,4-5,8-9,14-16,29H2,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t20-,21+,22+,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.96E+3	-30.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50397111 (CHEMBL2171853) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C32H38N6O5/c33-23-18-28(38(19-23)32(43)25(34)15-22-11-13-24(39)14-12-22)31(42)37-27(17-21-9-5-2-6-10-21)30(41)36-26(29(35)40)16-20-7-3-1-4-8-20/h1-14,23,25-28,39H,15-19,33-34H2,(H2,35,40)(H,36,41)(H,37,42)/t23-,25-,26+,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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50397112 (CHEMBL2171848) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C32H37N5O6/c33-23-18-28(37(19-23)31(41)25(34)15-22-11-13-24(38)14-12-22)30(40)35-26(16-20-7-3-1-4-8-20)29(39)36-27(32(42)43)17-21-9-5-2-6-10-21/h1-14,23,25-28,38H,15-19,33-34H2,(H,35,40)(H,36,39)(H,42,43)/t23-,25-,26+,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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50397109 (CHEMBL2171847) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23?,25-,26-,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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50397112 (CHEMBL2171848) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C32H37N5O6/c33-23-18-28(37(19-23)31(41)25(34)15-22-11-13-24(38)14-12-22)30(40)35-26(16-20-7-3-1-4-8-20)29(39)36-27(32(42)43)17-21-9-5-2-6-10-21/h1-14,23,25-28,38H,15-19,33-34H2,(H,35,40)(H,36,39)(H,42,43)/t23-,25-,26+,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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50397110 (CHEMBL2171846) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23?,25-,26+,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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50013754 (CHEMBL3264960) Show SMILES C[C@@H]1CC\C(C1)=N\Nc1nc(cs1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C15H15F2N3S/c1-9-2-4-11(6-9)19-20-15-18-14(8-21-15)12-5-3-10(16)7-13(12)17/h3,5,7-9H,2,4,6H2,1H3,(H,18,20)/b19-11-/t9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus-infected BTI-TN-5B1-4 cell microsomes assessed as decrease in H2O2 production using p-...				Bioorg Med Chem 22: 2887-95 (2014) Article DOI: 10.1016/j.bmc.2014.03.042 BindingDB Entry DOI: 10.7270/Q2C53NCP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus-infected BTI-TN-5B1-4 cell microsomes assessed as decrease in H2O2 production using p-...				Bioorg Med Chem 22: 2887-95 (2014) Article DOI: 10.1016/j.bmc.2014.03.042 BindingDB Entry DOI: 10.7270/Q2C53NCP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50013747 (CHEMBL3264959) Show SMILES C[C@@H]1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C15H15F2N3S/c1-9-2-4-11(6-9)19-20-15-18-14(8-21-15)12-5-3-10(16)7-13(12)17/h3,5,7-9H,2,4,6H2,1H3,(H,18,20)/b19-11+/t9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus-infected BTI-TN-5B1-4 cell microsomes assessed as decrease in H2O2 production using p-...				Bioorg Med Chem 22: 2887-95 (2014) Article DOI: 10.1016/j.bmc.2014.03.042 BindingDB Entry DOI: 10.7270/Q2C53NCP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50013747 (CHEMBL3264959) Show SMILES C[C@@H]1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C15H15F2N3S/c1-9-2-4-11(6-9)19-20-15-18-14(8-21-15)12-5-3-10(16)7-13(12)17/h3,5,7-9H,2,4,6H2,1H3,(H,18,20)/b19-11+/t9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus-infected BTI-TN-5B1-4 cell microsomes assessed as decrease in H2O2 production using p-...				Bioorg Med Chem 22: 2887-95 (2014) Article DOI: 10.1016/j.bmc.2014.03.042 BindingDB Entry DOI: 10.7270/Q2C53NCP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50013756 (CHEMBL3264954) Show SMILES CC1CCC\C1=N/Nc1nc(cs1)-c1ccc(F)cc1F Show InChI InChI=1S/C15H15F2N3S/c1-9-3-2-4-13(9)19-20-15-18-14(8-21-15)11-6-5-10(16)7-12(11)17/h5-9H,2-4H2,1H3,(H,18,20)/b19-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus-infected BTI-TN-5B1-4 cell microsomes assessed as decrease in H2O2 production using p-...				Bioorg Med Chem 22: 2887-95 (2014) Article DOI: 10.1016/j.bmc.2014.03.042 BindingDB Entry DOI: 10.7270/Q2C53NCP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50013749 (CHEMBL3264952) Show SMILES CC1CCC\C1=N/Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C15H16N4O2S/c1-10-3-2-4-13(10)17-18-15-16-14(9-22-15)11-5-7-12(8-6-11)19(20)21/h5-10H,2-4H2,1H3,(H,16,18)/b17-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus-infected BTI-TN-5B1-4 cell microsomes assessed as decrease in H2O2 production using p-...				Bioorg Med Chem 22: 2887-95 (2014) Article DOI: 10.1016/j.bmc.2014.03.042 BindingDB Entry DOI: 10.7270/Q2C53NCP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50013755 (CHEMBL3264951) Show SMILES CC1CCC\C1=N/Nc1nc(cs1)-c1ccc(F)cc1 Show InChI InChI=1S/C15H16FN3S/c1-10-3-2-4-13(10)18-19-15-17-14(9-20-15)11-5-7-12(16)8-6-11/h5-10H,2-4H2,1H3,(H,17,19)/b18-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus-infected BTI-TN-5B1-4 cell microsomes assessed as decrease in H2O2 production using p-...				Bioorg Med Chem 22: 2887-95 (2014) Article DOI: 10.1016/j.bmc.2014.03.042 BindingDB Entry DOI: 10.7270/Q2C53NCP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50013748 (CHEMBL3264958) Show SMILES CC1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(F)cc1F Show InChI InChI=1S/C15H15F2N3S/c1-9-2-4-11(6-9)19-20-15-18-14(8-21-15)12-5-3-10(16)7-13(12)17/h3,5,7-9H,2,4,6H2,1H3,(H,18,20)/b19-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus-infected BTI-TN-5B1-4 cell microsomes assessed as decrease in H2O2 production using p-...				Bioorg Med Chem 22: 2887-95 (2014) Article DOI: 10.1016/j.bmc.2014.03.042 BindingDB Entry DOI: 10.7270/Q2C53NCP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus-infected BTI-TN-5B1-4 cell microsomes assessed as decrease in H2O2 production using p-...				Bioorg Med Chem 22: 2887-95 (2014) Article DOI: 10.1016/j.bmc.2014.03.042 BindingDB Entry DOI: 10.7270/Q2C53NCP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50013750 (CHEMBL3264953) Show SMILES CC1CCC\C1=N/Nc1nc(cs1)-c1ccc(cc1)C#N Show InChI InChI=1S/C16H16N4S/c1-11-3-2-4-14(11)19-20-16-18-15(10-21-16)13-7-5-12(9-17)6-8-13/h5-8,10-11H,2-4H2,1H3,(H,18,20)/b19-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus-infected BTI-TN-5B1-4 cell microsomes assessed as decrease in H2O2 production using p-...				Bioorg Med Chem 22: 2887-95 (2014) Article DOI: 10.1016/j.bmc.2014.03.042 BindingDB Entry DOI: 10.7270/Q2C53NCP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50013751 (CHEMBL3264955) Show SMILES CC1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(F)cc1 Show InChI InChI=1S/C15H16FN3S/c1-10-2-7-13(8-10)18-19-15-17-14(9-20-15)11-3-5-12(16)6-4-11/h3-6,9-10H,2,7-8H2,1H3,(H,17,19)/b18-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus-infected BTI-TN-5B1-4 cell microsomes assessed as decrease in H2O2 production using p-...				Bioorg Med Chem 22: 2887-95 (2014) Article DOI: 10.1016/j.bmc.2014.03.042 BindingDB Entry DOI: 10.7270/Q2C53NCP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50029816 (5-Chloro-pyridine-2-carboxylic acid (2-amino-ethyl...) Show SMILES NCCNC(=O)c1ccc(Cl)cn1 Show InChI InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in insect cells assessed as inhibition of oxidation of kynuramine to 4-hydroxyquinoline after 20 mins...				Eur J Med Chem 82: 164-71 (2014) Article DOI: 10.1016/j.ejmech.2014.05.048 BindingDB Entry DOI: 10.7270/Q2M90B7K
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50022662 (CHEMBL3299140) Show SMILES CC1=C(\C=N\Nc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)C(C)(C)CC=C1 |c:1,26| Show InChI InChI=1S/C19H20N4O2S/c1-13-6-5-9-19(2,3)16(13)11-20-22-18-21-17(12-26-18)14-7-4-8-15(10-14)23(24)25/h4-8,10-12H,9H2,1-3H3,(H,21,22)/b20-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in insect cells assessed as inhibition of oxidation of kynuramine to 4-hydroxyquinoline after 20 mins...				Eur J Med Chem 82: 164-71 (2014) Article DOI: 10.1016/j.ejmech.2014.05.048 BindingDB Entry DOI: 10.7270/Q2M90B7K
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50013752 (CHEMBL3264957) Show SMILES CC1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(cc1)C#N Show InChI InChI=1S/C16H16N4S/c1-11-2-7-14(8-11)19-20-16-18-15(10-21-16)13-5-3-12(9-17)4-6-13/h3-6,10-11H,2,7-8H2,1H3,(H,18,20)/b19-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	227	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus-infected BTI-TN-5B1-4 cell microsomes assessed as decrease in H2O2 production using p-...				Bioorg Med Chem 22: 2887-95 (2014) Article DOI: 10.1016/j.bmc.2014.03.042 BindingDB Entry DOI: 10.7270/Q2C53NCP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50397109 (CHEMBL2171847) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23?,25-,26-,27+,28-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in Hartley guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of electrically-induce...				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair

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