Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50304175'   

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))	BDBM50304175 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES Cc1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C28H32N2O4/c1-16-2-6-18(7-3-16)26(32)29-20-10-11-28(33)22-14-19-8-9-21(31)24-23(19)27(28,25(20)34-24)12-13-30(22)15-17-4-5-17/h2-3,6-9,17,20,22,25,31,33H,4-5,10-15H2,1H3,(H,29,32)/t20-,22-,25+,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Antagonist activity at delta opioid receptor expressed in HEK293 cells assessed as inhibition of compound 14-induced [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50304175 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES Cc1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C28H32N2O4/c1-16-2-6-18(7-3-16)26(32)29-20-10-11-28(33)22-14-19-8-9-21(31)24-23(19)27(28,25(20)34-24)12-13-30(22)15-17-4-5-17/h2-3,6-9,17,20,22,25,31,33H,4-5,10-15H2,1H3,(H,29,32)/t20-,22-,25+,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor expressed in HEK293 cells by visible spectrophotometry				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50304175 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES Cc1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C28H32N2O4/c1-16-2-6-18(7-3-16)26(32)29-20-10-11-28(33)22-14-19-8-9-21(31)24-23(19)27(28,25(20)34-24)12-13-30(22)15-17-4-5-17/h2-3,6-9,17,20,22,25,31,33H,4-5,10-15H2,1H3,(H,29,32)/t20-,22-,25+,27+,28-/m1/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	n/a	n/a	0.140	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Activity at delta opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50304175 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES Cc1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C28H32N2O4/c1-16-2-6-18(7-3-16)26(32)29-20-10-11-28(33)22-14-19-8-9-21(31)24-23(19)27(28,25(20)34-24)12-13-30(22)15-17-4-5-17/h2-3,6-9,17,20,22,25,31,33H,4-5,10-15H2,1H3,(H,29,32)/t20-,22-,25+,27+,28-/m1/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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at delta opioid receptor expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair