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

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50019839   

TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
TBA

Curated by ChEMBL
LigandPNGBDBM50019839((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
Affinity DataIC50: 1.00E+4nMAssay Description:Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brainMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(GUINEA PIG)
TBA

Curated by ChEMBL
LigandPNGBDBM50019839((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
Affinity DataIC50: 5nMAssay Description:Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brainMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50019839((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
Affinity DataIC50: 850nMAssay Description:Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brainMore data for this Ligand-Target Pair