BDBM50188162 4-[(2S)-3-{[(2S)-1-{[(2S)-1-[(2S)-2-({[(2S)-1-{[(2R)-1-amino-3-hydroxypropan-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::CHEMBL215455

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

InChI Key: InChIKey=DYMQQMWAHKUTPK-CIPLGVTRSA-N

Data: 2 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 2 hits for monomerid = 50188162   

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))	BDBM50188162 (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)CO)Cc1ccc(O)cc1)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1 Show InChI InChI=1S/C46H67N7O4/c1-2-48-38(23-35-10-16-44(55)17-11-35)28-49-39(24-36-12-18-45(56)19-13-36)29-50-41(26-34-7-4-3-5-8-34)32-53-22-6-9-43(53)31-52-40(30-51-42(27-47)33-54)25-37-14-20-46(57)21-15-37/h3-5,7-8,10-21,38-43,48-52,54-57H,2,6,9,22-33,47H2,1H3/t38-,39-,40-,41-,42+,43-/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	67	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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50188162 (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)CO)Cc1ccc(O)cc1)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1 Show InChI InChI=1S/C46H67N7O4/c1-2-48-38(23-35-10-16-44(55)17-11-35)28-49-39(24-36-12-18-45(56)19-13-36)29-50-41(26-34-7-4-3-5-8-34)32-53-22-6-9-43(53)31-52-40(30-51-42(27-47)33-54)25-37-14-20-46(57)21-15-37/h3-5,7-8,10-21,38-43,48-52,54-57H,2,6,9,22-33,47H2,1H3/t38-,39-,40-,41-,42+,43-/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	67	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