BDBM50188156 4-[(2S)-3-{[(2S)-1-(4-hydroxyphenyl)-3-{methyl[(2S)-1-[(2S)-2-[(methylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-yl]amino}propan-2-yl](methyl)amino}-2-(methylamino)propyl]phenol::CHEMBL215595

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

InChI Key: InChIKey=KXVDQEBWXOUYEM-CUPIEXAXSA-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 = 50188156   

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)	BDBM50188156 (4-[(2S)-3-{[(2S)-1-(4-hydroxyphenyl)-3-{methyl[(2S...) Show SMILES CNC[C@@H]1CCCN1C[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@H](Cc1ccc(O)cc1)NC Show InChI InChI=1S/C36H53N5O2/c1-37-24-32-11-8-20-41(32)27-34(22-28-9-6-5-7-10-28)40(4)26-33(23-30-14-18-36(43)19-15-30)39(3)25-31(38-2)21-29-12-16-35(42)17-13-29/h5-7,9-10,12-19,31-34,37-38,42-43H,8,11,20-27H2,1-4H3/t31-,32-,33-,34-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	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