BDBM50188206 4-[(2S,5S,8S,11S,14S)-2-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]methyl}-5,8-dibenzyl-14-(ethylamino)-1-(4-hydroxyphenyl)-11-[(4-hydroxyphenyl)methyl]-3,6,9,12-tetraazapentadecan-15-yl]phenol::CHEMBL374960

SMILES: CCN[C@H](CN[C@H](CN[C@H](CN[C@H](CN[C@H](CN1CCC[C@H]1CN)Cc1ccc(O)cc1)Cc1ccccc1)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1

InChI Key: InChIKey=QBEJSUPGRGKCDW-RRXWZPBSSA-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 = 50188206   

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))	BDBM50188206 (4-[(2S,5S,8S,11S,14S)-2-{[(2S)-2-(aminomethyl)pyrr...) Show SMILES CCN[C@H](CN[C@H](CN[C@H](CN[C@H](CN[C@H](CN1CCC[C@H]1CN)Cc1ccc(O)cc1)Cc1ccccc1)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1 Show InChI InChI=1S/C52H71N7O3/c1-2-54-44(30-41-15-21-50(60)22-16-41)34-55-47(31-42-17-23-51(61)24-18-42)36-56-45(28-39-10-5-3-6-11-39)35-57-46(29-40-12-7-4-8-13-40)37-58-48(32-43-19-25-52(62)26-20-43)38-59-27-9-14-49(59)33-53/h3-8,10-13,15-26,44-49,54-58,60-62H,2,9,14,27-38,53H2,1H3/t44-,45-,46-,47-,48-,49-/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	48	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