BDBM50188189 4-[(2S)-3-{[(2S)-1-{[(2S)-1-[(2S)-2-({[(2S)-1-{[(2S)-1-amino-3-(4-hydroxyphenyl)propan-2-yl]amino}-3-(4-hydroxyphenyl)propan-2-yl]amino}methyl)pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]amino}-3-(4-hydroxyphenyl)propan-2-yl]amino}-2-(ethylamino)propyl]phenol::CHEMBL219563

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

InChI Key: InChIKey=RPHSVKXEFMQKLZ-FQEQRRFLSA-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 = 50188189   

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))	BDBM50188189 (4-[(2S)-3-{[(2S)-1-{[(2S)-1-[(2S)-2-({[(2S)-1-{[(2...) Show SMILES CCN[C@H](CN[C@H](CN[C@H](CN1CCC[C@H]1CN[C@H](CN[C@H](CN)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1 Show InChI InChI=1S/C52H71N7O5/c1-2-54-43(27-38-7-17-49(61)18-8-38)32-56-44(28-39-9-19-50(62)20-10-39)34-57-46(30-41-13-23-52(64)24-14-41)36-59-25-3-4-47(59)35-58-45(29-40-11-21-51(63)22-12-40)33-55-42(31-53)26-37-5-15-48(60)16-6-37/h5-24,42-47,54-58,60-64H,2-4,25-36,53H2,1H3/t42-,43-,44-,45-,46-,47-/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	87	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