Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50018312   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50194274 ((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C45H56N4O5/c1-28-20-34(50)21-29(2)36(28)25-39(46)44(53)49-27-33-11-4-3-10-31(33)22-41(49)43(52)47-18-15-42(51)54-35-14-13-32-23-40-37-12-5-6-16-45(37,38(32)24-35)17-19-48(40)26-30-8-7-9-30/h3-4,10-11,13-14,20-21,24,30,37,39-41,50H,5-9,12,15-19,22-23,25-27,46H2,1-2H3,(H,47,52)/t37-,39-,40+,41-,45+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of [3H]U-69593 binding to human kappa opioid receptor expressed in CHO cells at 10 uM				J Med Chem 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50194274 ((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C45H56N4O5/c1-28-20-34(50)21-29(2)36(28)25-39(46)44(53)49-27-33-11-4-3-10-31(33)22-41(49)43(52)47-18-15-42(51)54-35-14-13-32-23-40-37-12-5-6-16-45(37,38(32)24-35)17-19-48(40)26-30-8-7-9-30/h3-4,10-11,13-14,20-21,24,30,37,39-41,50H,5-9,12,15-19,22-23,25-27,46H2,1-2H3,(H,47,52)/t37-,39-,40+,41-,45+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.280	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 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50194274 ((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C45H56N4O5/c1-28-20-34(50)21-29(2)36(28)25-39(46)44(53)49-27-33-11-4-3-10-31(33)22-41(49)43(52)47-18-15-42(51)54-35-14-13-32-23-40-37-12-5-6-16-45(37,38(32)24-35)17-19-48(40)26-30-8-7-9-30/h3-4,10-11,13-14,20-21,24,30,37,39-41,50H,5-9,12,15-19,22-23,25-27,46H2,1-2H3,(H,47,52)/t37-,39-,40+,41-,45+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.690	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 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50194274 ((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C45H56N4O5/c1-28-20-34(50)21-29(2)36(28)25-39(46)44(53)49-27-33-11-4-3-10-31(33)22-41(49)43(52)47-18-15-42(51)54-35-14-13-32-23-40-37-12-5-6-16-45(37,38(32)24-35)17-19-48(40)26-30-8-7-9-30/h3-4,10-11,13-14,20-21,24,30,37,39-41,50H,5-9,12,15-19,22-23,25-27,46H2,1-2H3,(H,47,52)/t37-,39-,40+,41-,45+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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]naltrindole from human delta opioid receptor expressed in CHO cells				J Med Chem 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50194275 (CHEMBL384915 | H-Dmt-Tic-beta-Ala-OH | MCL-451) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(O)=O Show InChI InChI=1S/C24H29N3O5/c1-14-9-18(28)10-15(2)19(14)12-20(25)24(32)27-13-17-6-4-3-5-16(17)11-21(27)23(31)26-8-7-22(29)30/h3-6,9-10,20-21,28H,7-8,11-13,25H2,1-2H3,(H,26,31)(H,29,30)/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	4.20	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]naltrindole from human delta opioid receptor expressed in CHO cells				J Med Chem 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50194275 (CHEMBL384915 | H-Dmt-Tic-beta-Ala-OH | MCL-451) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(O)=O Show InChI InChI=1S/C24H29N3O5/c1-14-9-18(28)10-15(2)19(14)12-20(25)24(32)27-13-17-6-4-3-5-16(17)11-21(27)23(31)26-8-7-22(29)30/h3-6,9-10,20-21,28H,7-8,11-13,25H2,1-2H3,(H,26,31)(H,29,30)/t20-,21-/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	1.10E+3	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 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50194274 ((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C45H56N4O5/c1-28-20-34(50)21-29(2)36(28)25-39(46)44(53)49-27-33-11-4-3-10-31(33)22-41(49)43(52)47-18-15-42(51)54-35-14-13-32-23-40-37-12-5-6-16-45(37,38(32)24-35)17-19-48(40)26-30-8-7-9-30/h3-4,10-11,13-14,20-21,24,30,37,39-41,50H,5-9,12,15-19,22-23,25-27,46H2,1-2H3,(H,47,52)/t37-,39-,40+,41-,45+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity against human delta opioid receptor expressed in CHO cells assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding				J Med Chem 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50194275 (CHEMBL384915 | H-Dmt-Tic-beta-Ala-OH | MCL-451) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(O)=O Show InChI InChI=1S/C24H29N3O5/c1-14-9-18(28)10-15(2)19(14)12-20(25)24(32)27-13-17-6-4-3-5-16(17)11-21(27)23(31)26-8-7-22(29)30/h3-6,9-10,20-21,28H,7-8,11-13,25H2,1-2H3,(H,26,31)(H,29,30)/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	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity against human delta opioid receptor expressed in CHO cells assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding				J Med Chem 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50194274 ((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C45H56N4O5/c1-28-20-34(50)21-29(2)36(28)25-39(46)44(53)49-27-33-11-4-3-10-31(33)22-41(49)43(52)47-18-15-42(51)54-35-14-13-32-23-40-37-12-5-6-16-45(37,38(32)24-35)17-19-48(40)26-30-8-7-9-30/h3-4,10-11,13-14,20-21,24,30,37,39-41,50H,5-9,12,15-19,22-23,25-27,46H2,1-2H3,(H,47,52)/t37-,39-,40+,41-,45+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity against human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding				J Med Chem 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50194274 ((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C45H56N4O5/c1-28-20-34(50)21-29(2)36(28)25-39(46)44(53)49-27-33-11-4-3-10-31(33)22-41(49)43(52)47-18-15-42(51)54-35-14-13-32-23-40-37-12-5-6-16-45(37,38(32)24-35)17-19-48(40)26-30-8-7-9-30/h3-4,10-11,13-14,20-21,24,30,37,39-41,50H,5-9,12,15-19,22-23,25-27,46H2,1-2H3,(H,47,52)/t37-,39-,40+,41-,45+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.90	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding				J Med Chem 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50194274 ((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C45H56N4O5/c1-28-20-34(50)21-29(2)36(28)25-39(46)44(53)49-27-33-11-4-3-10-31(33)22-41(49)43(52)47-18-15-42(51)54-35-14-13-32-23-40-37-12-5-6-16-45(37,38(32)24-35)17-19-48(40)26-30-8-7-9-30/h3-4,10-11,13-14,20-21,24,30,37,39-41,50H,5-9,12,15-19,22-23,25-27,46H2,1-2H3,(H,47,52)/t37-,39-,40+,41-,45+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50194274 ((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C45H56N4O5/c1-28-20-34(50)21-29(2)36(28)25-39(46)44(53)49-27-33-11-4-3-10-31(33)22-41(49)43(52)47-18-15-42(51)54-35-14-13-32-23-40-37-12-5-6-16-45(37,38(32)24-35)17-19-48(40)26-30-8-7-9-30/h3-4,10-11,13-14,20-21,24,30,37,39-41,50H,5-9,12,15-19,22-23,25-27,46H2,1-2H3,(H,47,52)/t37-,39-,40+,41-,45+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 49: 5640-3 (2006) Article DOI: 10.1021/jm0605785 BindingDB Entry DOI: 10.7270/Q2CF9PQM
					More data for this Ligand-Target Pair