Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM449138'   

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))	BDBM449138 (US10702498, Compound 12 | US11484525, Compound 12) Show SMILES C[C@H](Cc1ccsc1)NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C |r| Show InChI InChI=1S/C19H27N3OS/c1-15(11-17-9-10-24-14-17)21-19(23)20-13-18(22(2)3)12-16-7-5-4-6-8-16/h4-10,14-15,18H,11-13H2,1-3H3,(H2,20,21,23)/p+1/t15-,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FRIEDRICH-ALEXANDER-UNIVERSITAT ERLANGEN-NÜRNBERG; THE BOARD OF TRUSTEES OFTHE LELAND STANFORD JUNIOR UNIVERSITY; THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL US Patent					Assay Description For a primary screen of selected molecules, binding to μOR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). ...				US Patent US10702498 (2020) BindingDB Entry DOI: 10.7270/Q2639SR9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM449138 (US10702498, Compound 12 | US11484525, Compound 12) Show SMILES C[C@H](Cc1ccsc1)NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C |r| Show InChI InChI=1S/C19H27N3OS/c1-15(11-17-9-10-24-14-17)21-19(23)20-13-18(22(2)3)12-16-7-5-4-6-8-16/h4-10,14-15,18H,11-13H2,1-3H3,(H2,20,21,23)/p+1/t15-,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM449138 (US10702498, Compound 12 | US11484525, Compound 12) Show SMILES C[C@H](Cc1ccsc1)NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C |r| Show InChI InChI=1S/C19H27N3OS/c1-15(11-17-9-10-24-14-17)21-19(23)20-13-18(22(2)3)12-16-7-5-4-6-8-16/h4-10,14-15,18H,11-13H2,1-3H3,(H2,20,21,23)/p+1/t15-,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair