Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50408801'   

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)	BDBM50408801 (CHEMBL5289463) Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1[C@H](C[C@H]2CCCC[C@@H]12)C(O)=O Show InChI InChI=1S/C46H76N12O8/c47-33(18-13-23-53-45(48)49)40(61)56-34(19-14-24-54-46(50)51)41(62)52-22-12-6-4-2-1-3-5-7-21-38(60)55-35(28-59)42(63)57-39(32-25-29-15-8-9-16-30(29)26-32)43(64)58-36-20-11-10-17-31(36)27-37(58)44(65)66/h8-9,15-16,31-37,39,59H,1-7,10-14,17-28,47H2,(H,52,62)(H,55,60)(H,56,61)(H,57,63)(H,65,66)(H4,48,49,53)(H4,50,51,54)/t31-,33-,34+,35+,36-,37-,39-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity rat recombinant histamine H3 receptor expressed in human SK-N-MC cells				Citation and Details
					More data for this Ligand-Target Pair