BDBM50019839 (2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-4-methanesulfinyl-butyrylamino}-3-phenyl-propionylamino)-acetic acid methyl ester::CHEMBL2372387

SMILES: COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=ALBLNOUHKYJANB-QJIWBYFKSA-N

Data: 3 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 = 50019839   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50019839 ((2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino...) Show SMILES COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C26H34N4O7S/c1-37-23(32)16-28-25(34)22(15-17-6-4-3-5-7-17)30-26(35)21(12-13-38(2)36)29-24(33)20(27)14-18-8-10-19(31)11-9-18/h3-11,20-22,31H,12-16,27H2,1-2H3,(H,28,34)(H,29,33)(H,30,35)/t20-,21-,22-,38?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain				J Med Chem 30: 1538-42 (1987) BindingDB Entry DOI: 10.7270/Q20Z73VC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50019839 ((2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino...) Show SMILES COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C26H34N4O7S/c1-37-23(32)16-28-25(34)22(15-17-6-4-3-5-7-17)30-26(35)21(12-13-38(2)36)29-24(33)20(27)14-18-8-10-19(31)11-9-18/h3-11,20-22,31H,12-16,27H2,1-2H3,(H,28,34)(H,29,33)(H,30,35)/t20-,21-,22-,38?/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain				J Med Chem 30: 1538-42 (1987) BindingDB Entry DOI: 10.7270/Q20Z73VC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50019839 ((2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino...) Show SMILES COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C26H34N4O7S/c1-37-23(32)16-28-25(34)22(15-17-6-4-3-5-7-17)30-26(35)21(12-13-38(2)36)29-24(33)20(27)14-18-8-10-19(31)11-9-18/h3-11,20-22,31H,12-16,27H2,1-2H3,(H,28,34)(H,29,33)(H,30,35)/t20-,21-,22-,38?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain				J Med Chem 30: 1538-42 (1987) BindingDB Entry DOI: 10.7270/Q20Z73VC
					More data for this Ligand-Target Pair