BDBM50174966 6-Methylsulfamoyl-chroman-2-carboxylic acid [(S)-2-((S)-3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-methyl-amide::CHEMBL199111

SMILES CNS(=O)(=O)c1ccc2OC(CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1

InChI Key InChIKey=ACGXEHCYMVMMDU-ZPVUCFGCSA-N

Data  2 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50174966   

TargetKappa-type opioid receptor(Homo sapiens (Human))
Adolor Corporation

Curated by ChEMBL
LigandPNGBDBM50174966(6-Methylsulfamoyl-chroman-2-carboxylic acid [(S)-2...)
Show SMILES CNS(=O)(=O)c1ccc2OC(CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
Show InChI InChI=1S/C24H31N3O5S/c1-25-33(30,31)20-9-11-22-18(14-20)8-10-23(32-22)24(29)26(2)21(17-6-4-3-5-7-17)16-27-13-12-19(28)15-27/h3-7,9,11,14,19,21,23,25,28H,8,10,12-13,15-16H2,1-2H3/t19-,21+,23?/m0/s1
Affinity DataKi:  19nMAssay Description:Agonistic activity at kappa opioid receptorMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
Adolor Corporation

Curated by ChEMBL
LigandPNGBDBM50174966(6-Methylsulfamoyl-chroman-2-carboxylic acid [(S)-2...)
Show SMILES CNS(=O)(=O)c1ccc2OC(CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
Show InChI InChI=1S/C24H31N3O5S/c1-25-33(30,31)20-9-11-22-18(14-20)8-10-23(32-22)24(29)26(2)21(17-6-4-3-5-7-17)16-27-13-12-19(28)15-27/h3-7,9,11,14,19,21,23,25,28H,8,10,12-13,15-16H2,1-2H3/t19-,21+,23?/m0/s1
Affinity DataKi: >5.00E+3nMAssay Description:Agonistic activity at mu opioid receptorMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Adolor Corporation

Curated by ChEMBL
LigandPNGBDBM50174966(6-Methylsulfamoyl-chroman-2-carboxylic acid [(S)-2...)
Show SMILES CNS(=O)(=O)c1ccc2OC(CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
Show InChI InChI=1S/C24H31N3O5S/c1-25-33(30,31)20-9-11-22-18(14-20)8-10-23(32-22)24(29)26(2)21(17-6-4-3-5-7-17)16-27-13-12-19(28)15-27/h3-7,9,11,14,19,21,23,25,28H,8,10,12-13,15-16H2,1-2H3/t19-,21+,23?/m0/s1
Affinity DataIC50: 320nMAssay Description:Inhibitory activity against CYP2D6More data for this Ligand-Target Pair