BDBM50188217 4-[(2S)-3-{[(2S)-1-{[(2S)-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]amino}-3-(4-hydroxyphenyl)propan-2-yl]amino}-2-(ethylamino)propyl]phenol::CHEMBL213268

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

InChI Key: InChIKey=HJDDIJWYQQKAJZ-ORYMTKCHSA-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 = 50188217   

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))	BDBM50188217 (4-[(2S)-3-{[(2S)-1-{[(2S)-1-[(2S)-2-(aminomethyl)p...) Show SMILES CCN[C@H](CN[C@H](CN[C@H](CN1CCC[C@H]1CN)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1 Show InChI InChI=1S/C34H49N5O3/c1-2-36-28(18-25-5-11-32(40)12-6-25)22-37-29(19-26-7-13-33(41)14-8-26)23-38-30(20-27-9-15-34(42)16-10-27)24-39-17-3-4-31(39)21-35/h5-16,28-31,36-38,40-42H,2-4,17-24,35H2,1H3/t28-,29-,30-,31-/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	13	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