Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50242687'   

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))	BDBM50242687 (CHEMBL4062974) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CC(=O)C1CCCCC1 |r,@@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C22H30N2O2/c23-22(26)17-8-4-7-16(11-17)18-12-19-9-10-20(13-18)24(19)14-21(25)15-5-2-1-3-6-15/h4,7-8,11,15,18-20H,1-3,5-6,9-10,12-14H2,(H2,23,26)/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]DTG to sigma binding site in Guinea pig brain membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50242687 (CHEMBL4062974) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CC(=O)C1CCCCC1 |r,@@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C22H30N2O2/c23-22(26)17-8-4-7-16(11-17)18-12-19-9-10-20(13-18)24(19)14-21(25)15-5-2-1-3-6-15/h4,7-8,11,15,18-20H,1-3,5-6,9-10,12-14H2,(H2,23,26)/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair