BDBM50097703 CHEMBL3590199

SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(Cl)cc1)C(C)(C)C

InChI Key InChIKey=AMQRIPVPGGIHKY-UHFFFAOYSA-N

Data  3 KI  3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50097703   

TargetKappa-type opioid receptor(Rattus norvegicus (rat))
University of Kansas Specialized Chemistry Center

Curated by ChEMBL
LigandPNGBDBM50097703(CHEMBL3590199)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-34(3)26(36)20-35-19-24(16-23-17-31-28(32-18-23)38-5-2)27(37)33-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3
Affinity DataKi:  53nMAssay Description:Displacement of radio-labeled U69,593 from rat kappa opioid receptor expressed in HEK293 cell membranesMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
University of Kansas Specialized Chemistry Center

Curated by ChEMBL
LigandPNGBDBM50097703(CHEMBL3590199)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-34(3)26(36)20-35-19-24(16-23-17-31-28(32-18-23)38-5-2)27(37)33-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to delta opioid receptor (unknown origin)More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
University of Kansas Specialized Chemistry Center

Curated by ChEMBL
LigandPNGBDBM50097703(CHEMBL3590199)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-34(3)26(36)20-35-19-24(16-23-17-31-28(32-18-23)38-5-2)27(37)33-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to mu opioid receptor (unknown origin)More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
University of Kansas Specialized Chemistry Center

Curated by ChEMBL
LigandPNGBDBM50097703(CHEMBL3590199)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-34(3)26(36)20-35-19-24(16-23-17-31-28(32-18-23)38-5-2)27(37)33-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3
Affinity DataIC50: 107nMAssay Description:Antagonist activity against HA-tagged human recombinant kappa opioid receptor expressed in CHO cells assessed as inhibition of U69,593-induced ERK ph...More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
University of Kansas Specialized Chemistry Center

Curated by ChEMBL
LigandPNGBDBM50097703(CHEMBL3590199)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-34(3)26(36)20-35-19-24(16-23-17-31-28(32-18-23)38-5-2)27(37)33-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3
Affinity DataIC50: 1.60nMAssay Description:Antagonist activity against HA-tagged human recombinant kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS bi...More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
University of Kansas Specialized Chemistry Center

Curated by ChEMBL
LigandPNGBDBM50097703(CHEMBL3590199)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-34(3)26(36)20-35-19-24(16-23-17-31-28(32-18-23)38-5-2)27(37)33-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3
Affinity DataIC50: 84nMAssay Description:Antagonist activity against human kappa opioid receptor expressed in human U2OS cells co-expressing beta-arrestin2 pre-treated for 15 mins before U69...More data for this Ligand-Target Pair