BDBM50188200 4-[(2S)-3-{[(2S)-1-{[(2S)-1-[(2S)-2-({[(2S)-1-{[(2S)-1-amino-3-phenylpropan-2-yl]amino}-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::CHEMBL219414

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

InChI Key: InChIKey=SCZFWQFFHHZRAN-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 = 50188200   

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))	BDBM50188200 (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)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1 Show InChI InChI=1S/C52H71N7O3/c1-2-54-45(29-41-15-21-50(60)22-16-41)34-56-46(30-42-17-23-51(61)24-18-42)36-57-48(32-40-12-7-4-8-13-40)38-59-27-9-14-49(59)37-58-47(31-43-19-25-52(62)26-20-43)35-55-44(33-53)28-39-10-5-3-6-11-39/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	27	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