BDBM50188193 4-[(2S)-2-amino-3-{ethyl[(2S)-1-{ethyl[(2S)-1-[(2S)-2-[(ethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-yl]amino}-3-(4-hydroxyphenyl)propan-2-yl]amino}propyl]phenol::CHEMBL214581

SMILES: CCNC[C@@H]1CCCN1C[C@H](Cc1ccccc1)N(CC)C[C@H](Cc1ccc(O)cc1)N(CC)C[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=RAUSFOOIAODGPX-ZYADHFCISA-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 = 50188193   

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 (GUINEA PIG)	BDBM50188193 (4-[(2S)-2-amino-3-{ethyl[(2S)-1-{ethyl[(2S)-1-[(2S...) Show SMILES CCNC[C@@H]1CCCN1C[C@H](Cc1ccccc1)N(CC)C[C@H](Cc1ccc(O)cc1)N(CC)C[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C38H57N5O2/c1-4-40-26-34-13-10-22-43(34)29-36(24-30-11-8-7-9-12-30)42(6-3)28-35(25-32-16-20-38(45)21-17-32)41(5-2)27-33(39)23-31-14-18-37(44)19-15-31/h7-9,11-12,14-21,33-36,40,44-45H,4-6,10,13,22-29,39H2,1-3H3/t33-,34-,35-,36-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Molecular Studies Curated by ChEMBL					Assay Description Antagonist activity against mu opioid receptor in guinea-pig ileum assay				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