Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM457874'   

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))	BDBM457874 (US10752592, Compound B) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCC(=O)C[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H26N2O2/c22-20(25)15-4-3-14-10-19-17-6-5-16(24)11-21(17,18(14)9-15)7-8-23(19)12-13-1-2-13/h3-4,9,13,17,19H,1-2,5-8,10-12H2,(H2,22,25)/t17?,19-,21+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ALKERMES PHARMA IRELAND LIMITED US Patent					Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...				US Patent US10752592 (2020) BindingDB Entry DOI: 10.7270/Q23R0WX0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM457874 (US10752592, Compound B) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCC(=O)C[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H26N2O2/c22-20(25)15-4-3-14-10-19-17-6-5-16(24)11-21(17,18(14)9-15)7-8-23(19)12-13-1-2-13/h3-4,9,13,17,19H,1-2,5-8,10-12H2,(H2,22,25)/t17?,19-,21+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
ALKERMES PHARMA IRELAND LIMITED US Patent					Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...				US Patent US10752592 (2020) BindingDB Entry DOI: 10.7270/Q23R0WX0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM457874 (US10752592, Compound B) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCC(=O)C[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H26N2O2/c22-20(25)15-4-3-14-10-19-17-6-5-16(24)11-21(17,18(14)9-15)7-8-23(19)12-13-1-2-13/h3-4,9,13,17,19H,1-2,5-8,10-12H2,(H2,22,25)/t17?,19-,21+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.980	n/a	n/a	n/a	n/a
ALKERMES PHARMA IRELAND LIMITED US Patent					Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...				US Patent US10752592 (2020) BindingDB Entry DOI: 10.7270/Q23R0WX0
					More data for this Ligand-Target Pair