BDBM50071171 9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-3,12a-diaza-benzo[a]cyclopenta[h]anthracene-1-carboxylic acid ethyl ester::CHEMBL59898

SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12

InChI Key InChIKey=VDDUJINYXKGZLV-UHFFFAOYSA-N

Data  7 KI  6 IC50  1 EC50

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 14 hits for monomerid = 50071171   

TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50071171(9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-...)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
Show InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
Affinity DataKi:  7.10nMAssay Description:Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M4 in transfected CHO cells.More data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50071171(9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-...)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
Show InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
Affinity DataKi:  257nMAssay Description:Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M3 in transfected CHO cells.More data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50071171(9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-...)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
Show InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
Affinity DataKi:  537nMAssay Description:Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M2 in transfected CHO cells.More data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor DM1(Drosophila melanogaster)
University of California

Curated by ChEMBL
LigandPNGBDBM50071171(9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-...)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
Show InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
Affinity DataKi:  1.03E+3nMAssay Description:Displacement of [3H]QNB from Drosophila melanogaster mAChR by scintillation countingMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50071171(9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-...)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
Show InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
Affinity DataKi:  1.32E+3nMAssay Description:Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M1 in transfected CHO cells.More data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor DM1(Drosophila melanogaster)
University of California

Curated by ChEMBL
LigandPNGBDBM50071171(9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-...)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
Show InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
Affinity DataKi:  1.43E+3nMAssay Description:Displacement of [3H]AF-DX 384 from Drosophila melanogaster mAChR by scintillation countingMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50071171(9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-...)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
Show InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
Affinity DataKi:  3.39E+3nMAssay Description:Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M5 in transfected CHO cells.More data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50071171(9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-...)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
Show InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
Affinity DataIC50: 1.00E+3nMAssay Description:Antagonist activity at human muscarinic M4 receptor expressed in CHO cells assessed as blockade of carbachol-induced inhibition of forskolin-stimulat...More data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50071171(9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-...)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
Show InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
Affinity DataIC50: 3.44E+3nMAssay Description:Evaluated for its binding affinity at human muscarinic receptor m2 by displacement of [3H]NMS binding using membranes from transfected chinese hamste...More data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50071171(9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-...)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
Show InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
Affinity DataIC50: 7.41E+3nMAssay Description:Evaluated for its binding affinity at human muscarinic receptor m5 by the displacement of [3H]NMS binding using membranes from transfected chinese ha...More data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50071171(9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-...)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
Show InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
Affinity DataIC50: 91nMAssay Description:Evaluated for its binding affinity at human muscarinic receptor m4 by the displacement of [3H]NMS binding using membranes from transfected chinese ha...More data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50071171(9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-...)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
Show InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
Affinity DataIC50: 6.56E+3nMAssay Description:Evaluated for its binding affinity at human muscarinic receptor m1 by displacement of [3H]NMS binding using membranes in transfected chinese hamster ...More data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50071171(9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-...)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
Show InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
Affinity DataIC50: 950nMAssay Description:Evaluated for its binding affinity at human muscarinic receptor m3 by the displacement of [3H]NMS binding using membranes from transfected chinese ha...More data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50071171(9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-...)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
Show InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
Affinity DataEC50:  54nMAssay Description:Antagonist activity at human muscarinic M4 receptor expressed in CHO cells assessed as blockade of carbachol-induced inhibition of forskolin-stimulat...More data for this Ligand-Target Pair