BDBM50162625 Benzyl derivative of M6G::CHEMBL366917

SMILES: COC1[C@H](NC(=O)CC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C

InChI Key: InChIKey=AKEFSYMTVVZMKO-GZNILVGYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50162625   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50162625 (Benzyl derivative of M6G | CHEMBL366917) Show SMILES COC1[C@H](NC(=O)CC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C |c:52| Show InChI InChI=1S/C54H60N2O8/c1-56-28-27-54-43(46(56)29-41-23-24-42(57)30-44(41)54)25-26-45(53(54)59-2)55-49(58)31-47-50(61-33-38-17-9-4-10-18-38)52(63-35-40-21-13-6-14-22-40)51(62-34-39-19-11-5-12-20-39)48(64-47)36-60-32-37-15-7-3-8-16-37/h3-26,30,43,45-48,50-53,57H,27-29,31-36H2,1-2H3,(H,55,58)/t43-,45+,46+,47?,48?,50?,51?,52?,53?,54-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DAMGO binding to recombinant human Opioid receptor mu 1				Bioorg Med Chem Lett 15: 1583-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.072 BindingDB Entry DOI: 10.7270/Q2HT2Q2W
					More data for this Ligand-Target Pair