Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50408812'   

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)	BDBM50408812 (CHEMBL5273683) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(O)=O Show InChI InChI=1S/C47H76N10O9/c1-4-31(2)41(46(65)66)57-44(63)38(29-33-23-24-34-18-12-13-19-35(34)28-33)56-45(64)39(30-58)54-40(60)22-11-9-7-5-6-8-10-16-26-51-42(61)36(21-17-27-52-47(49)50)55-43(62)37(53-32(3)59)20-14-15-25-48/h12-13,18-19,23-24,28,31,36-39,41,58H,4-11,14-17,20-22,25-27,29-30,48H2,1-3H3,(H,51,61)(H,53,59)(H,54,60)(H,55,62)(H,56,64)(H,57,63)(H,65,66)(H4,49,50,52)/t31-,36-,37-,38+,39-,41-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at MTL receptor in rabbit duodenum homogenate				Citation and Details
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