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BDBM50018056 (AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one::11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one::2-Diethylaminomethyl-1-[2-oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperidinium::5-{2-[2-(2-Dipropylamino-ethyl)-piperidin-1-yl]-acetyl}-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one::AF-DX 116::AF-DX 116,(+/-)::CHEMBL17045::Otenzepad

SMILES: CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12

InChI Key: InChIKey=UBRKDAVQCKZSPO-UHFFFAOYSA-N

Data: 46 KI  70 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 116 hits for monomerid = 50018056   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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n/an/a 1.00E+4n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of rat submandibular muscarinic (M3) receptor isolated from tissue homogenates


J Med Chem 37: 3775-88 (1994)


Article DOI: 10.1021/jm00048a014
BindingDB Entry DOI: 10.7270/Q2QC02JX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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n/an/a 140n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of muscarinic (M2) receptor isolated from rat atria


J Med Chem 37: 3775-88 (1994)


Article DOI: 10.1021/jm00048a014
BindingDB Entry DOI: 10.7270/Q2QC02JX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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52n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for displacement of [3H]-QNB from human Muscarinic m2 receptor in CHO cells.


Bioorg Med Chem Lett 6: 785-788 (1996)


Article DOI: 10.1016/0960-894X(96)00107-2
BindingDB Entry DOI: 10.7270/Q23B60MB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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179n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for displacement of [3H]QNB from human Muscarinic m1 receptor in CHO cells.


Bioorg Med Chem Lett 6: 785-788 (1996)


Article DOI: 10.1016/0960-894X(96)00107-2
BindingDB Entry DOI: 10.7270/Q23B60MB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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740n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity by the displacement of [3H]NMS binding to A9 L cells transfected with muscarinic M1 receptor of rat brain


J Med Chem 36: 162-5 (1993)


Article DOI: 10.1021/jm00053a021
BindingDB Entry DOI: 10.7270/Q22R3TWJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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73n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity by the displacement of [3H]NMS binding to muscarinic M2 receptor of rat heart


J Med Chem 36: 162-5 (1993)


Article DOI: 10.1021/jm00053a021
BindingDB Entry DOI: 10.7270/Q22R3TWJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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n/an/a 400n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Binding affinity to the rat cardiac muscarinic acetylcholine receptor M2 using 0.3 nM [3H]-N-methylscopolamine as radioligand


J Med Chem 32: 1718-24 (1989)


Article DOI: 10.1021/jm00128a008
BindingDB Entry DOI: 10.7270/Q2XG9Q4Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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n/an/a 140n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Binding affinity for glandular muscarinic acetylcholine receptor M3 in rat assayed using 0.3 nM [3H]-N-methylscopolamine as radioligand


J Med Chem 32: 1718-24 (1989)


Article DOI: 10.1021/jm00128a008
BindingDB Entry DOI: 10.7270/Q2XG9Q4Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Binding affinity for glandular muscarinic acetylcholine receptor M3 in rat assayed using 0.3 nM [3H]N-methylscopolamine as radioligand


J Med Chem 32: 1718-24 (1989)


Article DOI: 10.1021/jm00128a008
BindingDB Entry DOI: 10.7270/Q2XG9Q4Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Binding affinity for glandular muscarinic acetylcholine receptor M3 in rat assayed using 0.3 nM [3H]N-methylscopolamine as radioligand


J Med Chem 32: 1718-24 (1989)


Article DOI: 10.1021/jm00128a008
BindingDB Entry DOI: 10.7270/Q2XG9Q4Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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407n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M4 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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2.09E+3n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M3 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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81n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M2 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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537n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human M1 muscarinic receptor


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor DM1


(Drosophila melanogaster)
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
MMDB

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1.22E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from Drosophila melanogaster mAChR by scintillation counting


J Agric Food Chem 55: 2276-81 (2007)


Article DOI: 10.1021/jf0631934
BindingDB Entry DOI: 10.7270/Q2WQ06PC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor DM1


(Drosophila melanogaster)
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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1.38E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]AF-DX 384 from Drosophila melanogaster mAChR by scintillation counting


J Agric Food Chem 55: 2276-81 (2007)


Article DOI: 10.1021/jf0631934
BindingDB Entry DOI: 10.7270/Q2WQ06PC
More data for this
Ligand-Target Pair
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