BDBM50188211 4-[(2S)-3-{[(2S)-1-{[(2S)-1-[(2S)-2-({[(2S)-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]amino}methyl)pyrrolidin-1-yl]-3-phenylpropan-2-yl]amino}-3-(4-hydroxyphenyl)propan-2-yl]amino}-2-(ethylamino)propyl]phenol::CHEMBL216017

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

InChI Key: InChIKey=KJSVJEYTHVKUJI-RCWIFLETSA-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 = 50188211   

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))	BDBM50188211 (4-[(2S)-3-{[(2S)-1-{[(2S)-1-[(2S)-2-({[(2S)-1-[(2S...) Show SMILES CCN[C@H](CN[C@H](CN[C@H](CN1CCC[C@H]1CN[C@H](CN1CCC[C@H]1CN)Cc1ccc(O)cc1)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1 Show InChI InChI=1S/C48H69N7O3/c1-2-50-40(26-37-12-18-46(56)19-13-37)31-51-41(27-38-14-20-47(57)21-15-38)32-52-42(28-36-8-4-3-5-9-36)35-55-25-7-11-45(55)33-53-43(29-39-16-22-48(58)23-17-39)34-54-24-6-10-44(54)30-49/h3-5,8-9,12-23,40-45,50-53,56-58H,2,6-7,10-11,24-35,49H2,1H3/t40-,41-,42-,43-,44-,45-/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	18	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