Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50491854'   

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))	BDBM50491854 (CHEMBL2387327) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r| Show InChI InChI=1S/C64H88ClN11O10/c1-39(2)32-53(59(67)81)73-62(84)52(22-23-56(78)68-28-24-58(80)76(47-16-12-9-13-17-47)48-26-30-75(31-27-48)29-25-44-14-10-8-11-15-44)72-63(85)54(33-40(3)4)74-64(86)55(36-45-18-20-46(65)21-19-45)71-57(79)38-69-60(82)43(7)70-61(83)51(66)37-50-41(5)34-49(77)35-42(50)6/h8-21,34-35,39-40,43,48,51-55,77H,22-33,36-38,66H2,1-7H3,(H2,67,81)(H,68,78)(H,69,82)(H,70,83)(H,71,79)(H,72,85)(H,73,84)(H,74,86)/t43-,51+,52+,53+,54-,55+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes				Bioorg Med Chem Lett 23: 3434-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.065 BindingDB Entry DOI: 10.7270/Q2T72MCM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50491854 (CHEMBL2387327) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r| Show InChI InChI=1S/C64H88ClN11O10/c1-39(2)32-53(59(67)81)73-62(84)52(22-23-56(78)68-28-24-58(80)76(47-16-12-9-13-17-47)48-26-30-75(31-27-48)29-25-44-14-10-8-11-15-44)72-63(85)54(33-40(3)4)74-64(86)55(36-45-18-20-46(65)21-19-45)71-57(79)38-69-60(82)43(7)70-61(83)51(66)37-50-41(5)34-49(77)35-42(50)6/h8-21,34-35,39-40,43,48,51-55,77H,22-33,36-38,66H2,1-7H3,(H2,67,81)(H,68,78)(H,69,82)(H,70,83)(H,71,79)(H,72,85)(H,73,84)(H,74,86)/t43-,51+,52+,53+,54-,55+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction				Bioorg Med Chem Lett 23: 3434-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.065 BindingDB Entry DOI: 10.7270/Q2T72MCM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50491854 (CHEMBL2387327) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r| Show InChI InChI=1S/C64H88ClN11O10/c1-39(2)32-53(59(67)81)73-62(84)52(22-23-56(78)68-28-24-58(80)76(47-16-12-9-13-17-47)48-26-30-75(31-27-48)29-25-44-14-10-8-11-15-44)72-63(85)54(33-40(3)4)74-64(86)55(36-45-18-20-46(65)21-19-45)71-57(79)38-69-60(82)43(7)70-61(83)51(66)37-50-41(5)34-49(77)35-42(50)6/h8-21,34-35,39-40,43,48,51-55,77H,22-33,36-38,66H2,1-7H3,(H2,67,81)(H,68,78)(H,69,82)(H,70,83)(H,71,79)(H,72,85)(H,73,84)(H,74,86)/t43-,51+,52+,53+,54-,55+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				Bioorg Med Chem Lett 23: 3434-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.065 BindingDB Entry DOI: 10.7270/Q2T72MCM
					More data for this Ligand-Target Pair