BDBM50188187 4-[(2S)-3-{[(2S)-1-{[(2S)-1-[(2S)-2-({[(2S)-1-{[(2S)-1-amino-4-(methylsulfanyl)butan-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::CHEMBL265035

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

InChI Key: InChIKey=SMRRPDQAXJCVCT-WGXSSYHUSA-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 = 50188187   

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))	BDBM50188187 (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)CCSC)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1 Show InChI InChI=1S/C48H71N7O4S/c1-3-50-40(25-35-6-14-45(56)15-7-35)30-52-41(26-36-8-16-46(57)17-9-36)32-53-43(28-38-12-20-48(59)21-13-38)34-55-23-4-5-44(55)33-54-42(27-37-10-18-47(58)19-11-37)31-51-39(29-49)22-24-60-2/h6-21,39-44,50-54,56-59H,3-5,22-34,49H2,1-2H3/t39-,40-,41-,42-,43-,44-/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	113	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