Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50046472   

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 (MOUSE)	BDBM50114372 (CHEMBL3604279) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC1CN(CC=C)C2)c1cccc(OC)c1 Show InChI InChI=1S/C28H37N3O2/c1-5-17-29-19-24-15-16-25(20-29)31(24)27(23-9-8-10-26(18-23)33-4)21-11-13-22(14-12-21)28(32)30(6-2)7-3/h5,8-14,18,24-25,27H,1,6-7,15-17,19-20H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse brain membranes by liquid scintillation counting method				Bioorg Med Chem 23: 5527-38 (2015) Article DOI: 10.1016/j.bmc.2015.07.036 BindingDB Entry DOI: 10.7270/Q2222WK2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50114370 (CHEMBL3604281) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCC2CCC(C1)N2CC=C)c1cccc(OC)c1 |THB:13:14:22:18.19| Show InChI InChI=1S/C29H39N3O2/c1-5-18-32-25-15-16-26(32)21-31(19-17-25)28(24-9-8-10-27(20-24)34-4)22-11-13-23(14-12-22)29(33)30(6-2)7-3/h5,8-14,20,25-26,28H,1,6-7,15-19,21H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse brain membranes by liquid scintillation counting method				Bioorg Med Chem 23: 5527-38 (2015) Article DOI: 10.1016/j.bmc.2015.07.036 BindingDB Entry DOI: 10.7270/Q2222WK2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50114373 (CHEMBL3604278) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CC1CN(CC=C)C2)c1cccc(OC)c1 |THB:13:14:23.19.18:16| Show InChI InChI=1S/C27H35N3O2/c1-5-15-28-18-23-17-24(19-28)30(23)26(22-9-8-10-25(16-22)32-4)20-11-13-21(14-12-20)27(31)29(6-2)7-3/h5,8-14,16,23-24,26H,1,6-7,15,17-19H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse brain membranes by liquid scintillation counting method				Bioorg Med Chem 23: 5527-38 (2015) Article DOI: 10.1016/j.bmc.2015.07.036 BindingDB Entry DOI: 10.7270/Q2222WK2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50114371 (CHEMBL3604280) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCCC1CN(CC=C)C2)c1cccc(OC)c1 |TLB:22:21:14:16.17.18| Show InChI InChI=1S/C29H39N3O2/c1-5-18-30-20-25-11-9-12-26(21-30)32(25)28(24-10-8-13-27(19-24)34-4)22-14-16-23(17-15-22)29(33)31(6-2)7-3/h5,8,10,13-17,19,25-26,28H,1,6-7,9,11-12,18,20-21H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse brain membranes by liquid scintillation counting method				Bioorg Med Chem 23: 5527-38 (2015) Article DOI: 10.1016/j.bmc.2015.07.036 BindingDB Entry DOI: 10.7270/Q2222WK2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50114369 (CHEMBL3604282) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCC2CCCC(C1)N2CC=C)c1cccc(OC)c1 |TLB:24:23:18.19.20:22.15.16.14| Show InChI InChI=1S/C30H41N3O2/c1-5-19-33-26-11-9-12-27(33)22-32(20-18-26)29(25-10-8-13-28(21-25)35-4)23-14-16-24(17-15-23)30(34)31(6-2)7-3/h5,8,10,13-17,21,26-27,29H,1,6-7,9,11-12,18-20,22H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse brain membranes by liquid scintillation counting method				Bioorg Med Chem 23: 5527-38 (2015) Article DOI: 10.1016/j.bmc.2015.07.036 BindingDB Entry DOI: 10.7270/Q2222WK2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50114370 (CHEMBL3604281) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCC2CCC(C1)N2CC=C)c1cccc(OC)c1 |THB:13:14:22:18.19| Show InChI InChI=1S/C29H39N3O2/c1-5-18-32-25-15-16-26(32)21-31(19-17-25)28(24-9-8-10-27(20-24)34-4)22-11-13-23(14-12-22)29(33)30(6-2)7-3/h5,8-14,20,25-26,28H,1,6-7,15-19,21H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in mouse brain membranes by liquid scintillation counting method				Bioorg Med Chem 23: 5527-38 (2015) Article DOI: 10.1016/j.bmc.2015.07.036 BindingDB Entry DOI: 10.7270/Q2222WK2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50114372 (CHEMBL3604279) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC1CN(CC=C)C2)c1cccc(OC)c1 Show InChI InChI=1S/C28H37N3O2/c1-5-17-29-19-24-15-16-25(20-29)31(24)27(23-9-8-10-26(18-23)33-4)21-11-13-22(14-12-21)28(32)30(6-2)7-3/h5,8-14,18,24-25,27H,1,6-7,15-17,19-20H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa opioid receptor in mouse brain membranes by liquid scintillation counting method				Bioorg Med Chem 23: 5527-38 (2015) Article DOI: 10.1016/j.bmc.2015.07.036 BindingDB Entry DOI: 10.7270/Q2222WK2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50114369 (CHEMBL3604282) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCC2CCCC(C1)N2CC=C)c1cccc(OC)c1 |TLB:24:23:18.19.20:22.15.16.14| Show InChI InChI=1S/C30H41N3O2/c1-5-19-33-26-11-9-12-27(33)22-32(20-18-26)29(25-10-8-13-28(21-25)35-4)23-14-16-24(17-15-23)30(34)31(6-2)7-3/h5,8,10,13-17,21,26-27,29H,1,6-7,9,11-12,18-20,22H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in mouse brain membranes by liquid scintillation counting method				Bioorg Med Chem 23: 5527-38 (2015) Article DOI: 10.1016/j.bmc.2015.07.036 BindingDB Entry DOI: 10.7270/Q2222WK2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50114373 (CHEMBL3604278) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CC1CN(CC=C)C2)c1cccc(OC)c1 |THB:13:14:23.19.18:16| Show InChI InChI=1S/C27H35N3O2/c1-5-15-28-18-23-17-24(19-28)30(23)26(22-9-8-10-25(16-22)32-4)20-11-13-21(14-12-20)27(31)29(6-2)7-3/h5,8-14,16,23-24,26H,1,6-7,15,17-19H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in mouse brain membranes by liquid scintillation counting method				Bioorg Med Chem 23: 5527-38 (2015) Article DOI: 10.1016/j.bmc.2015.07.036 BindingDB Entry DOI: 10.7270/Q2222WK2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50114371 (CHEMBL3604280) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCCC1CN(CC=C)C2)c1cccc(OC)c1 |TLB:22:21:14:16.17.18| Show InChI InChI=1S/C29H39N3O2/c1-5-18-30-20-25-11-9-12-26(21-30)32(25)28(24-10-8-13-27(19-24)34-4)22-14-16-23(17-15-22)29(33)31(6-2)7-3/h5,8,10,13-17,19,25-26,28H,1,6-7,9,11-12,18,20-21H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa opioid receptor in mouse brain membranes by liquid scintillation counting method				Bioorg Med Chem 23: 5527-38 (2015) Article DOI: 10.1016/j.bmc.2015.07.036 BindingDB Entry DOI: 10.7270/Q2222WK2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50114371 (CHEMBL3604280) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCCC1CN(CC=C)C2)c1cccc(OC)c1 |TLB:22:21:14:16.17.18| Show InChI InChI=1S/C29H39N3O2/c1-5-18-30-20-25-11-9-12-26(21-30)32(25)28(24-10-8-13-27(19-24)34-4)22-14-16-23(17-15-22)29(33)31(6-2)7-3/h5,8,10,13-17,19,25-26,28H,1,6-7,9,11-12,18,20-21H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in mouse brain membranes by liquid scintillation counting method				Bioorg Med Chem 23: 5527-38 (2015) Article DOI: 10.1016/j.bmc.2015.07.036 BindingDB Entry DOI: 10.7270/Q2222WK2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50114370 (CHEMBL3604281) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCC2CCC(C1)N2CC=C)c1cccc(OC)c1 |THB:13:14:22:18.19| Show InChI InChI=1S/C29H39N3O2/c1-5-18-32-25-15-16-26(32)21-31(19-17-25)28(24-9-8-10-27(20-24)34-4)22-11-13-23(14-12-22)29(33)30(6-2)7-3/h5,8-14,20,25-26,28H,1,6-7,15-19,21H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa opioid receptor in mouse brain membranes by liquid scintillation counting method				Bioorg Med Chem 23: 5527-38 (2015) Article DOI: 10.1016/j.bmc.2015.07.036 BindingDB Entry DOI: 10.7270/Q2222WK2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50114372 (CHEMBL3604279) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CCC1CN(CC=C)C2)c1cccc(OC)c1 Show InChI InChI=1S/C28H37N3O2/c1-5-17-29-19-24-15-16-25(20-29)31(24)27(23-9-8-10-26(18-23)33-4)21-11-13-22(14-12-21)28(32)30(6-2)7-3/h5,8-14,18,24-25,27H,1,6-7,15-17,19-20H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in mouse brain membranes by liquid scintillation counting method				Bioorg Med Chem 23: 5527-38 (2015) Article DOI: 10.1016/j.bmc.2015.07.036 BindingDB Entry DOI: 10.7270/Q2222WK2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50114373 (CHEMBL3604278) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C2CC1CN(CC=C)C2)c1cccc(OC)c1 |THB:13:14:23.19.18:16| Show InChI InChI=1S/C27H35N3O2/c1-5-15-28-18-23-17-24(19-28)30(23)26(22-9-8-10-25(16-22)32-4)20-11-13-21(14-12-20)27(31)29(6-2)7-3/h5,8-14,16,23-24,26H,1,6-7,15,17-19H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa opioid receptor in mouse brain membranes by liquid scintillation counting method				Bioorg Med Chem 23: 5527-38 (2015) Article DOI: 10.1016/j.bmc.2015.07.036 BindingDB Entry DOI: 10.7270/Q2222WK2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50114369 (CHEMBL3604282) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCC2CCCC(C1)N2CC=C)c1cccc(OC)c1 |TLB:24:23:18.19.20:22.15.16.14| Show InChI InChI=1S/C30H41N3O2/c1-5-19-33-26-11-9-12-27(33)22-32(20-18-26)29(25-10-8-13-28(21-25)35-4)23-14-16-24(17-15-23)30(34)31(6-2)7-3/h5,8,10,13-17,21,26-27,29H,1,6-7,9,11-12,18-20,22H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa opioid receptor in mouse brain membranes by liquid scintillation counting method				Bioorg Med Chem 23: 5527-38 (2015) Article DOI: 10.1016/j.bmc.2015.07.036 BindingDB Entry DOI: 10.7270/Q2222WK2
					More data for this Ligand-Target Pair