BDBM50018727 2-{2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3-hydroxy-butyryl}-methyl-amino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-3-hydroxy-butyric acid::CHEMBL338661

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O

InChI Key: InChIKey=PWCNFAODFZLYFO-PDZRYRBSSA-N

Data: 2 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 3 hits for monomerid = 50018727   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50018727 (2-{2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propiony...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C33H47N5O9/c1-18(2)15-25(30(43)37-28(20(4)40)33(46)47)35-31(44)26(17-21-9-7-6-8-10-21)38(5)32(45)27(19(3)39)36-29(42)24(34)16-22-11-13-23(41)14-12-22/h6-14,18-20,24-28,39-41H,15-17,34H2,1-5H3,(H,35,44)(H,36,42)(H,37,43)(H,46,47)/t19-,20-,24+,25+,26+,27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]DSLET binding to delta 1 opioid receptors in rat brain membranes				J Med Chem 31: 374-83 (1988) BindingDB Entry DOI: 10.7270/Q21R6R37
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50018727 (2-{2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propiony...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C33H47N5O9/c1-18(2)15-25(30(43)37-28(20(4)40)33(46)47)35-31(44)26(17-21-9-7-6-8-10-21)38(5)32(45)27(19(3)39)36-29(42)24(34)16-22-11-13-23(41)14-12-22/h6-14,18-20,24-28,39-41H,15-17,34H2,1-5H3,(H,35,44)(H,36,42)(H,37,43)(H,46,47)/t19-,20-,24+,25+,26+,27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]DAGO binding to mu 1 opioid receptor in rat brain membranes				J Med Chem 31: 374-83 (1988) BindingDB Entry DOI: 10.7270/Q21R6R37
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50018727 (2-{2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propiony...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C33H47N5O9/c1-18(2)15-25(30(43)37-28(20(4)40)33(46)47)35-31(44)26(17-21-9-7-6-8-10-21)38(5)32(45)27(19(3)39)36-29(42)24(34)16-22-11-13-23(41)14-12-22/h6-14,18-20,24-28,39-41H,15-17,34H2,1-5H3,(H,35,44)(H,36,42)(H,37,43)(H,46,47)/t19-,20-,24+,25+,26+,27-,28+/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency on electrically evoked contractions of myenteric plexus longitudinal muscle preparation of Guinea pig ileum (GPI) for its atagonis...				J Med Chem 31: 374-83 (1988) BindingDB Entry DOI: 10.7270/Q21R6R37
					More data for this Ligand-Target Pair