BDBM50114009 1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [2-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-1-(1H-indol-3-ylmethyl)-ethyl]-amide::CHEMBL87907

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1c[nH]c2ccccc12

InChI Key: InChIKey=KPNZIKSDYZBVMF-ZBBOUCKSSA-N

Data: 1 KI  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 2 hits for monomerid = 50114009   

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))	BDBM50114009 (1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrroli...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C35H40N6O5/c36-28(17-23-12-14-26(42)15-13-23)35(46)41-16-6-11-31(41)34(45)39-25(19-24-21-38-29-10-5-4-9-27(24)29)20-32(43)40-30(33(37)44)18-22-7-2-1-3-8-22/h1-5,7-10,12-15,21,25,28,30-31,38,42H,6,11,16-20,36H2,(H2,37,44)(H,39,45)(H,40,43)/t25-,28-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bologna Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor mu 1 by displacing [3H]DAMGO in rat brain membranes.				J Med Chem 45: 2571-8 (2002) BindingDB Entry DOI: 10.7270/Q20R9Q43
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50114009 (1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrroli...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C35H40N6O5/c36-28(17-23-12-14-26(42)15-13-23)35(46)41-16-6-11-31(41)34(45)39-25(19-24-21-38-29-10-5-4-9-27(24)29)20-32(43)40-30(33(37)44)18-22-7-2-1-3-8-22/h1-5,7-10,12-15,21,25,28,30-31,38,42H,6,11,16-20,36H2,(H2,37,44)(H,39,45)(H,40,43)/t25-,28-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23.3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bologna Curated by ChEMBL					Assay Description Inhibitory activity against [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membranes				J Med Chem 45: 2571-8 (2002) BindingDB Entry DOI: 10.7270/Q20R9Q43
					More data for this Ligand-Target Pair