BDBM50188191 4-[(5S,8S,11S,14S,17S,20S)-5-(aminomethyl)-11-benzyl-20-(ethylamino)-8,14,17-tris[(4-hydroxyphenyl)methyl]-2-thia-6,9,12,15,18-pentaazahenicosan-21-yl]phenol::CHEMBL386206

SMILES: CCN[C@H](CN[C@H](CN[C@H](CN[C@H](CN[C@H](CN[C@H](CN)CCSC)Cc1ccc(O)cc1)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1

InChI Key: InChIKey=NPEDVKTUTRLJPO-RYICAFHUSA-N

Data: 1 IC50

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 = 50188191   

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 (Rattus norvegicus (rat))	BDBM50188191 (4-[(5S,8S,11S,14S,17S,20S)-5-(aminomethyl)-11-benz...) Show SMILES CCN[C@H](CN[C@H](CN[C@H](CN[C@H](CN[C@H](CN[C@H](CN)CCSC)Cc1ccc(O)cc1)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1 Show InChI InChI=1S/C52H73N7O4S/c1-3-54-44(28-39-9-17-49(60)18-10-39)33-56-47(30-41-13-21-51(62)22-14-41)36-59-48(31-42-15-23-52(63)24-16-42)37-57-45(27-38-7-5-4-6-8-38)35-58-46(29-40-11-19-50(61)20-12-40)34-55-43(32-53)25-26-64-2/h4-24,43-48,54-63H,3,25-37,53H2,1-2H3/t43-,44-,45-,46-,47-,48-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate				Bioorg Med Chem Lett 16: 4331-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.053 BindingDB Entry DOI: 10.7270/Q2028R47
					More data for this Ligand-Target Pair