BDBM50401367 CHEMBL2205829

SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1

InChI Key InChIKey=AVNYJOIRGGOFFW-UHFFFAOYSA-N

Data  9 KI

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50401367   

TargetSigma non-opioid intracellular receptor 1(RAT)
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM50401367(CHEMBL2205829)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
Affinity DataKi:  435nMAssay Description:Displacement of [3H](+)-pentazocine from rat brain sigma1 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM50401367(CHEMBL2205829)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
Affinity DataKi:  1.30E+3nMAssay Description:Binding affinity to M2 muscarinic receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM50401367(CHEMBL2205829)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
Affinity DataKi:  1.30E+3nMAssay Description:Binding affinity to M4 muscarinic receptorMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM50401367(CHEMBL2205829)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
Affinity DataKi:  1.43E+3nMAssay Description:Binding affinity to kappa opioid receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM50401367(CHEMBL2205829)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
Affinity DataKi:  1.56E+3nMAssay Description:Binding affinity to M5 muscarinic receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM50401367(CHEMBL2205829)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
Affinity DataKi:  1.61E+3nMAssay Description:Binding affinity to M3 muscarinic receptorMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM50401367(CHEMBL2205829)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
Affinity DataKi:  1.78E+3nMAssay Description:Binding affinity to alpha2C adrenergic receptorMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM50401367(CHEMBL2205829)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
Affinity DataKi:  4.78E+3nMAssay Description:Binding affinity to mu opioid receptorMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM50401367(CHEMBL2205829)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to alpha1A adrenergicMore data for this Ligand-Target Pair