Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM456892'   

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))	BDBM456892 (US10736890, Compound TABLE B.2) Show SMILES C[C@H](C1CC1)N1CC[C@]23CCCC[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r| Show InChI InChI=1S/C21H29NO2/c1-14(15-4-5-15)22-11-10-20-8-2-3-9-21(20,24)19(22)12-16-6-7-17(23)13-18(16)20/h6-7,13-15,19,23-24H,2-5,8-12H2,1H3/t14-,19-,20+,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0790	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 US10736890 (2020) BindingDB Entry DOI: 10.7270/Q2F47S5F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM456892 (US10736890, Compound TABLE B.2) Show SMILES C[C@H](C1CC1)N1CC[C@]23CCCC[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r| Show InChI InChI=1S/C21H29NO2/c1-14(15-4-5-15)22-11-10-20-8-2-3-9-21(20,24)19(22)12-16-6-7-17(23)13-18(16)20/h6-7,13-15,19,23-24H,2-5,8-12H2,1H3/t14-,19-,20+,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	2.20	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 US10736890 (2020) BindingDB Entry DOI: 10.7270/Q2F47S5F
					More data for this Ligand-Target Pair