Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50304176'   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50304176 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H29F3N2O4/c29-28(30,31)18-6-3-16(4-7-18)25(35)32-19-9-10-27(36)21-13-17-5-8-20(34)23-22(17)26(27,24(19)37-23)11-12-33(21)14-15-1-2-15/h3-8,15,19,21,24,34,36H,1-2,9-14H2,(H,32,35)/t19-,21-,24+,26+,27-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	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]DAMGO from mu 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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50304176 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H29F3N2O4/c29-28(30,31)18-6-3-16(4-7-18)25(35)32-19-9-10-27(36)21-13-17-5-8-20(34)23-22(17)26(27,24(19)37-23)11-12-33(21)14-15-1-2-15/h3-8,15,19,21,24,34,36H,1-2,9-14H2,(H,32,35)/t19-,21-,24+,26+,27-/m1/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
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Antagonist activity at mu opioid receptor expressed in HEK293 cells assessed as inhibition of compound 11-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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50304176 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H29F3N2O4/c29-28(30,31)18-6-3-16(4-7-18)25(35)32-19-9-10-27(36)21-13-17-5-8-20(34)23-22(17)26(27,24(19)37-23)11-12-33(21)14-15-1-2-15/h3-8,15,19,21,24,34,36H,1-2,9-14H2,(H,32,35)/t19-,21-,24+,26+,27-/m1/s1	PDB NCI pathway 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 mu 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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50304176 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H29F3N2O4/c29-28(30,31)18-6-3-16(4-7-18)25(35)32-19-9-10-27(36)21-13-17-5-8-20(34)23-22(17)26(27,24(19)37-23)11-12-33(21)14-15-1-2-15/h3-8,15,19,21,24,34,36H,1-2,9-14H2,(H,32,35)/t19-,21-,24+,26+,27-/m1/s1	PDB NCI pathway 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	16	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Activity at mu 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