Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50561916'   

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 (MOUSE)	BDBM50561916 (CHEMBL4779258) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)COCC(=O)NCCCCCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(\NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12)ccc3O |r,wU:21.26,1.0,17.21,16.16,52.60,wD:7.7,49.53,t:73,76,THB:10:9:17:6.5.4,(26.89,-21.3,;25.18,-21.34,;26.14,-22.89,;25.26,-24.34,;23.95,-23.64,;22.65,-24.41,;21.32,-23.71,;21.28,-22.24,;20.48,-20.93,;19.75,-22.23,;18.38,-21.51,;18.32,-19.98,;19.03,-18.63,;17.5,-18.69,;20.74,-22.99,;22.61,-22.94,;23.91,-22.12,;22.57,-21.39,;21.21,-20.67,;22.53,-19.87,;23.83,-19.07,;25.16,-19.82,;26.48,-19.02,;27.83,-19.76,;27.86,-21.3,;29.15,-18.97,;30.5,-19.71,;31.82,-18.91,;33.17,-19.65,;33.2,-21.19,;34.49,-18.86,;35.83,-19.6,;37.15,-18.8,;38.5,-19.55,;39.82,-18.75,;41.17,-19.49,;42.49,-18.69,;43.84,-19.44,;45.15,-18.64,;46.5,-19.38,;47.82,-18.58,;47.79,-17.04,;49.17,-19.33,;50.49,-18.53,;51.84,-19.27,;53.15,-18.48,;53.12,-16.94,;54.5,-19.22,;55.82,-18.42,;57.17,-19.16,;57.19,-20.7,;58.53,-21.44,;59.86,-20.65,;59.83,-19.11,;58.48,-18.36,;61.2,-21.4,;62.52,-20.61,;63.87,-21.36,;63.9,-22.9,;62.57,-23.68,;62.6,-25.22,;63.94,-25.97,;65.26,-25.18,;65.24,-23.64,;62.5,-19.07,;63.82,-18.28,;63.79,-16.74,;65.02,-15.81,;64.52,-14.35,;62.98,-14.38,;61.72,-13.5,;60.5,-14.42,;59,-14.82,;59.4,-13.33,;61,-15.88,;62.53,-15.85,;22.7,-25.94,;24.03,-26.67,;25.31,-25.87,;26.68,-26.61,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-NLX from mouse mu opioid receptor expressed in CHO cells measured after 1.5 hrs by competitive-binding assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00444 BindingDB Entry DOI: 10.7270/Q2M04947
					More data for this Ligand-Target Pair