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Compile Data Set for Download or QSAR

Found 109 hits from College of Pharmacy   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic receptor M2 and M3


(RAT)
BDBM50018304
PNG
(11-(2-{2-[(Cycloheptyl-methyl-amino)-methyl]-piper...)
Show SMILES CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C1CCCCCC1
Show InChI InChI=1S/C28H37N5O2/c1-31(21-11-4-2-3-5-12-21)19-22-13-8-9-18-32(22)20-26(34)33-25-16-7-6-14-23(25)28(35)30-24-15-10-17-29-27(24)33/h6-7,10,14-17,21-22H,2-5,8-9,11-13,18-20H2,1H3,(H,30,35)
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n/an/a 30n/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 receptor M2 and M3


(RAT)
BDBM50018292
PNG
(11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(C)cc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H33N5O2/c1-4-28(5-2)16-19-9-6-7-14-29(19)17-23(31)30-22-12-11-18(3)15-20(22)25(32)27-21-10-8-13-26-24(21)30/h8,10-13,15,19H,4-7,9,14,16-17H2,1-3H3,(H,27,32)
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n/an/a 30n/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 receptor M2 and M3


(RAT)
BDBM50018302
PNG
(9-Chloro-11-[2-(2-diethylaminomethyl-piperidin-1-y...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2cc(Cl)ccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H30ClN5O2/c1-3-28(4-2)15-18-8-5-6-13-29(18)16-22(31)30-21-14-17(25)10-11-19(21)24(32)27-20-9-7-12-26-23(20)30/h7,9-12,14,18H,3-6,8,13,15-16H2,1-2H3,(H,27,32)
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n/an/a 40n/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 receptor M2 and 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 50n/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 receptor M2 and M3


(RAT)
BDBM50018314
PNG
(11-(2-{2-[(Cyclohexyl-methyl-amino)-methyl]-piperi...)
Show SMILES CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C1CCCCC1
Show InChI InChI=1S/C27H35N5O2/c1-30(20-10-3-2-4-11-20)18-21-12-7-8-17-31(21)19-25(33)32-24-15-6-5-13-22(24)27(34)29-23-14-9-16-28-26(23)32/h5-6,9,13-16,20-21H,2-4,7-8,10-12,17-19H2,1H3,(H,29,34)
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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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50030220
PNG
(4-[(10R,13R)-17-(1,5-Dimethyl-hexyl)-10,13-dimethy...)
Show SMILES CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)Nc1cc(cc2cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C38H53NO9S2/c1-22(2)7-6-8-23(3)30-11-12-31-29-10-9-25-19-26(13-15-37(25,4)32(29)14-16-38(30,31)5)48-36(41)39-33-20-27(49(42,43)44)17-24-18-28(50(45,46)47)21-34(40)35(24)33/h9,17-18,20-23,26,29-32,40H,6-8,10-16,19H2,1-5H3,(H,39,41)(H,42,43,44)(H,45,46,47)/t23?,26?,29?,30?,31?,32?,37-,38+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of RNA-dependent DNA polymerase activity


J Med Chem 37: 2513-9 (1994)


Article DOI: 10.1021/jm00042a004
BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50018291
PNG
(11-{2-[2-(3-Diethylamino-propyl)-piperidin-1-yl]-a...)
Show SMILES CCN(CC)CCCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C26H35N5O2/c1-3-29(4-2)17-10-12-20-11-7-8-18-30(20)19-24(32)31-23-15-6-5-13-21(23)26(33)28-22-14-9-16-27-25(22)31/h5-6,9,13-16,20H,3-4,7-8,10-12,17-19H2,1-2H3,(H,28,33)
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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 receptor M2 and M3


(RAT)
BDBM50018294
PNG
(11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2cc(C)ccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H33N5O2/c1-4-28(5-2)16-19-9-6-7-14-29(19)17-23(31)30-22-15-18(3)11-12-20(22)25(32)27-21-10-8-13-26-24(21)30/h8,10-13,15,19H,4-7,9,14,16-17H2,1-3H3,(H,27,32)
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n/an/a 70n/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 receptor M2 and M3


(RAT)
BDBM50018304
PNG
(11-(2-{2-[(Cycloheptyl-methyl-amino)-methyl]-piper...)
Show SMILES CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C1CCCCCC1
Show InChI InChI=1S/C28H37N5O2/c1-31(21-11-4-2-3-5-12-21)19-22-13-8-9-18-32(22)20-26(34)33-25-16-7-6-14-23(25)28(35)30-24-15-10-17-29-27(24)33/h6-7,10,14-17,21-22H,2-5,8-9,11-13,18-20H2,1H3,(H,30,35)
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n/an/a 70n/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 receptor M2 and M3


(RAT)
BDBM50018298
PNG
(11-(2-{2-[(Butyl-methyl-amino)-methyl]-piperidin-1...)
Show SMILES CCCCN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H33N5O2/c1-3-4-15-28(2)17-19-10-7-8-16-29(19)18-23(31)30-22-13-6-5-11-20(22)25(32)27-21-12-9-14-26-24(21)30/h5-6,9,11-14,19H,3-4,7-8,10,15-18H2,1-2H3,(H,27,32)
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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 receptor M2 and M3


(RAT)
BDBM50018306
PNG
(8-Chloro-11-[2-(2-diethylaminomethyl-piperidin-1-y...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(Cl)cc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H30ClN5O2/c1-3-28(4-2)15-18-8-5-6-13-29(18)16-22(31)30-21-11-10-17(25)14-19(21)24(32)27-20-9-7-12-26-23(20)30/h7,9-12,14,18H,3-6,8,13,15-16H2,1-2H3,(H,27,32)
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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 receptor M2 and M3


(RAT)
BDBM50018293
PNG
(11-(2-{2-[(Ethyl-methyl-amino)-methyl]-piperidin-1...)
Show SMILES CCN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C23H29N5O2/c1-3-26(2)15-17-9-6-7-14-27(17)16-21(29)28-20-12-5-4-10-18(20)23(30)25-19-11-8-13-24-22(19)28/h4-5,8,10-13,17H,3,6-7,9,14-16H2,1-2H3,(H,25,30)
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n/an/a 120n/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 receptor M2 and 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 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 receptor M2 and M3


(RAT)
BDBM50018297
PNG
(11-[2-(2-Dimethylaminomethyl-piperidin-1-yl)-acety...)
Show SMILES CN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C22H27N5O2/c1-25(2)14-16-8-5-6-13-26(16)15-20(28)27-19-11-4-3-9-17(19)22(29)24-18-10-7-12-23-21(18)27/h3-4,7,9-12,16H,5-6,8,13-15H2,1-2H3,(H,24,29)
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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 receptor M2 and M3


(RAT)
BDBM50018314
PNG
(11-(2-{2-[(Cyclohexyl-methyl-amino)-methyl]-piperi...)
Show SMILES CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C1CCCCC1
Show InChI InChI=1S/C27H35N5O2/c1-30(20-10-3-2-4-11-20)18-21-12-7-8-17-31(21)19-25(33)32-24-15-6-5-13-22(24)27(34)29-23-14-9-16-28-26(23)32/h5-6,9,13-16,20-21H,2-4,7-8,10-12,17-19H2,1H3,(H,29,34)
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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 receptor M2 and M3


(RAT)
BDBM50018299
PNG
(11-[2-(2-Diethylaminomethyl-pyrrolidin-1-yl)-acety...)
Show SMILES CCN(CC)CC1CCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C23H29N5O2/c1-3-26(4-2)15-17-9-8-14-27(17)16-21(29)28-20-12-6-5-10-18(20)23(30)25-19-11-7-13-24-22(19)28/h5-7,10-13,17H,3-4,8-9,14-16H2,1-2H3,(H,25,30)
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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 receptor M2 and M3


(RAT)
BDBM50018305
PNG
(8-Bromo-11-[2-(2-diethylaminomethyl-piperidin-1-yl...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(Br)cc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H30BrN5O2/c1-3-28(4-2)15-18-8-5-6-13-29(18)16-22(31)30-21-11-10-17(25)14-19(21)24(32)27-20-9-7-12-26-23(20)30/h7,9-12,14,18H,3-6,8,13,15-16H2,1-2H3,(H,27,32)
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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 receptor M2 and M3


(RAT)
BDBM50018313
PNG
(11-[2-(3-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)C1
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)15-18-9-8-14-28(16-18)17-22(30)29-21-12-6-5-10-19(21)24(31)26-20-11-7-13-25-23(20)29/h5-7,10-13,18H,3-4,8-9,14-17H2,1-2H3,(H,26,31)
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n/an/a 170n/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 receptor M2 and M3


(RAT)
BDBM50018298
PNG
(11-(2-{2-[(Butyl-methyl-amino)-methyl]-piperidin-1...)
Show SMILES CCCCN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H33N5O2/c1-3-4-15-28(2)17-19-10-7-8-16-29(19)18-23(31)30-22-13-6-5-11-20(22)25(32)27-21-12-9-14-26-24(21)30/h5-6,9,11-14,19H,3-4,7-8,10,15-18H2,1-2H3,(H,27,32)
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n/an/a 200n/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 receptor M2 and M3


(RAT)
BDBM50018296
PNG
(11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(CC)cc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C26H35N5O2/c1-4-19-12-13-23-21(16-19)26(33)28-22-11-9-14-27-25(22)31(23)24(32)18-30-15-8-7-10-20(30)17-29(5-2)6-3/h9,11-14,16,20H,4-8,10,15,17-18H2,1-3H3,(H,28,33)
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n/an/a 200n/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 receptor M2 and M3


(RAT)
BDBM50018291
PNG
(11-{2-[2-(3-Diethylamino-propyl)-piperidin-1-yl]-a...)
Show SMILES CCN(CC)CCCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C26H35N5O2/c1-3-29(4-2)17-10-12-20-11-7-8-18-30(20)19-24(32)31-23-15-6-5-13-21(23)26(33)28-22-14-9-16-27-25(22)31/h5-6,9,13-16,20H,3-4,7-8,10-12,17-19H2,1-2H3,(H,28,33)
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n/an/a 200n/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 receptor M2 and M3


(RAT)
BDBM50018300
PNG
(11-[3-(2-Diethylaminomethyl-piperidin-1-yl)-propio...)
Show SMILES CCN(CC)CC1CCCCN1CCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H33N5O2/c1-3-28(4-2)18-19-10-7-8-16-29(19)17-14-23(31)30-22-13-6-5-11-20(22)25(32)27-21-12-9-15-26-24(21)30/h5-6,9,11-13,15,19H,3-4,7-8,10,14,16-18H2,1-2H3,(H,27,32)
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n/an/a 220n/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 receptor M2 and M3


(RAT)
BDBM50018313
PNG
(11-[2-(3-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)C1
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)15-18-9-8-14-28(16-18)17-22(30)29-21-12-6-5-10-19(21)24(31)26-20-11-7-13-25-23(20)29/h5-7,10-13,18H,3-4,8-9,14-17H2,1-2H3,(H,26,31)
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n/an/a 300n/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 receptor M2 and M3


(RAT)
BDBM50018307
PNG
(11-{2-[2-(2-Diethylamino-ethyl)-piperidin-1-yl]-ac...)
Show SMILES CCN(CC)CCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H33N5O2/c1-3-28(4-2)17-14-19-10-7-8-16-29(19)18-23(31)30-22-13-6-5-11-20(22)25(32)27-21-12-9-15-26-24(21)30/h5-6,9,11-13,15,19H,3-4,7-8,10,14,16-18H2,1-2H3,(H,27,32)
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n/an/a 330n/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
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50394419
PNG
(CHEMBL2158172)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(Cl)nc(Cl)n1-c1ccc(F)cc1F
Show InChI InChI=1S/C16H10Cl2F2N2O2S/c1-25(23,24)11-5-2-9(3-6-11)14-15(17)21-16(18)22(14)13-7-4-10(19)8-12(13)20/h2-8H,1H3
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n/an/a 550n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of COX-2-induced PGE2 production in LPS-stimulated mouse Raw 264.7 cells preincubated for 1 hr before LPS challenge measured after 24 hrs ...


Bioorg Med Chem 20: 6256-9 (2012)


Article DOI: 10.1016/j.bmc.2012.09.014
BindingDB Entry DOI: 10.7270/Q2C53N0R
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50018310
PNG
(11-[2-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-ace...)
Show SMILES O=C(CN1CCCCC1CN1CCCC1)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H29N5O2/c30-22(17-28-15-4-3-8-18(28)16-27-13-5-6-14-27)29-21-11-2-1-9-19(21)24(31)26-20-10-7-12-25-23(20)29/h1-2,7,9-12,18H,3-6,8,13-17H2,(H,26,31)
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n/an/a 560n/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
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50394418
PNG
(CHEMBL2158169)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(Br)n1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H11BrF2N2O2S/c1-24(22,23)12-5-2-10(3-6-12)15-9-20-16(17)21(15)11-4-7-13(18)14(19)8-11/h2-9H,1H3
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n/an/a 580n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of COX-2-induced PGE2 production in LPS-stimulated mouse Raw 264.7 cells preincubated for 1 hr before LPS challenge measured after 24 hrs ...


Bioorg Med Chem 20: 6256-9 (2012)


Article DOI: 10.1016/j.bmc.2012.09.014
BindingDB Entry DOI: 10.7270/Q2C53N0R
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50018311
PNG
(11-[2-(2-Piperidin-1-ylmethyl-piperidin-1-yl)-acet...)
Show SMILES O=C(CN1CCCCC1CN1CCCCC1)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H31N5O2/c31-23(18-29-16-7-4-9-19(29)17-28-14-5-1-6-15-28)30-22-12-3-2-10-20(22)25(32)27-21-11-8-13-26-24(21)30/h2-3,8,10-13,19H,1,4-7,9,14-18H2,(H,27,32)
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n/an/a 600n/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 receptor M2 and M3


(RAT)
BDBM50018300
PNG
(11-[3-(2-Diethylaminomethyl-piperidin-1-yl)-propio...)
Show SMILES CCN(CC)CC1CCCCN1CCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H33N5O2/c1-3-28(4-2)18-19-10-7-8-16-29(19)17-14-23(31)30-22-13-6-5-11-20(22)25(32)27-21-12-9-15-26-24(21)30/h5-6,9,11-13,15,19H,3-4,7-8,10,14,16-18H2,1-2H3,(H,27,32)
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n/an/a 600n/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 receptor M2 and M3


(RAT)
BDBM50018301
PNG
(11-[2-(2-Ethylaminomethyl-piperidin-1-yl)-acetyl]-...)
Show SMILES CCNCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C22H27N5O2/c1-2-23-14-16-8-5-6-13-26(16)15-20(28)27-19-11-4-3-9-17(19)22(29)25-18-10-7-12-24-21(18)27/h3-4,7,9-12,16,23H,2,5-6,8,13-15H2,1H3,(H,25,29)
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n/an/a 600n/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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50030217
PNG
(CHEMBL313213 | Hexadecanoic acid 1-hexadecanoylami...)
Show SMILES CCCCCCCCCCCCCCCC(=O)Nc1c(OC(=O)CCCCCCCCCCCCCCC)cc(c2ccccc12)S(O)(=O)=O
Show InChI InChI=1S/C42H69NO6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-40(44)43-42-37-32-30-29-31-36(37)39(50(46,47)48)35-38(42)49-41(45)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32,35H,3-28,33-34H2,1-2H3,(H,43,44)(H,46,47,48)
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n/an/a 720n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of RNA-dependent DNA polymerase activity


J Med Chem 37: 2513-9 (1994)


Article DOI: 10.1021/jm00042a004
BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50018312
PNG
(11-[2-(4-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-11-14-28(15-12-18)17-22(30)29-21-10-6-5-8-19(21)24(31)26-20-9-7-13-25-23(20)29/h5-10,13,18H,3-4,11-12,14-17H2,1-2H3,(H,26,31)
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n/an/a 800n/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 receptor M2 and M3


(RAT)
BDBM50018292
PNG
(11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(C)cc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H33N5O2/c1-4-28(5-2)16-19-9-6-7-14-29(19)17-23(31)30-22-12-11-18(3)15-20(22)25(32)27-21-10-8-13-26-24(21)30/h8,10-13,15,19H,4-7,9,14,16-17H2,1-3H3,(H,27,32)
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n/an/a 1.00E+3n/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 receptor M2 and M3


(RAT)
BDBM50018309
PNG
(11-[2-(2-Morpholin-4-ylmethyl-piperidin-1-yl)-acet...)
Show SMILES O=C(CN1CCCCC1CN1CCOCC1)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H29N5O3/c30-22(17-28-11-4-3-6-18(28)16-27-12-14-32-15-13-27)29-21-9-2-1-7-19(21)24(31)26-20-8-5-10-25-23(20)29/h1-2,5,7-10,18H,3-4,6,11-17H2,(H,26,31)
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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 receptor M2 and M3


(RAT)
BDBM50018297
PNG
(11-[2-(2-Dimethylaminomethyl-piperidin-1-yl)-acety...)
Show SMILES CN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C22H27N5O2/c1-25(2)14-16-8-5-6-13-26(16)15-20(28)27-19-11-4-3-9-17(19)22(29)24-18-10-7-12-23-21(18)27/h3-4,7,9-12,16H,5-6,8,13-15H2,1-2H3,(H,24,29)
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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 receptor M2 and M3


(RAT)
BDBM50018307
PNG
(11-{2-[2-(2-Diethylamino-ethyl)-piperidin-1-yl]-ac...)
Show SMILES CCN(CC)CCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H33N5O2/c1-3-28(4-2)17-14-19-10-7-8-16-29(19)18-23(31)30-22-13-6-5-11-20(22)25(32)27-21-12-9-15-26-24(21)30/h5-6,9,11-13,15,19H,3-4,7-8,10,14,16-18H2,1-2H3,(H,27,32)
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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 receptor M2 and M3


(RAT)
BDBM50018302
PNG
(9-Chloro-11-[2-(2-diethylaminomethyl-piperidin-1-y...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2cc(Cl)ccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H30ClN5O2/c1-3-28(4-2)15-18-8-5-6-13-29(18)16-22(31)30-21-14-17(25)10-11-19(21)24(32)27-20-9-7-12-26-23(20)30/h7,9-12,14,18H,3-6,8,13,15-16H2,1-2H3,(H,27,32)
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n/an/a 1.50E+3n/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 receptor M2 and M3


(RAT)
BDBM50018310
PNG
(11-[2-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-ace...)
Show SMILES O=C(CN1CCCCC1CN1CCCC1)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H29N5O2/c30-22(17-28-15-4-3-8-18(28)16-27-13-5-6-14-27)29-21-11-2-1-9-19(21)24(31)26-20-10-7-12-25-23(20)29/h1-2,7,9-12,18H,3-6,8,13-17H2,(H,26,31)
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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 receptor M2 and M3


(RAT)
BDBM50018311
PNG
(11-[2-(2-Piperidin-1-ylmethyl-piperidin-1-yl)-acet...)
Show SMILES O=C(CN1CCCCC1CN1CCCCC1)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H31N5O2/c31-23(18-29-16-7-4-9-19(29)17-28-14-5-1-6-15-28)30-22-12-3-2-10-20(22)25(32)27-21-11-8-13-26-24(21)30/h2-3,8,10-13,19H,1,4-7,9,14-18H2,(H,27,32)
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n/an/a 1.50E+3n/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 receptor M2 and M3


(RAT)
BDBM50018303
PNG
(11-[2-(2-Dipropylaminomethyl-piperidin-1-yl)-acety...)
Show SMILES CCCN(CCC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C26H35N5O2/c1-3-15-29(16-4-2)18-20-10-7-8-17-30(20)19-24(32)31-23-13-6-5-11-21(23)26(33)28-22-12-9-14-27-25(22)31/h5-6,9,11-14,20H,3-4,7-8,10,15-19H2,1-2H3,(H,28,33)
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n/an/a 1.50E+3n/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 receptor M2 and M3


(RAT)
BDBM50018293
PNG
(11-(2-{2-[(Ethyl-methyl-amino)-methyl]-piperidin-1...)
Show SMILES CCN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C23H29N5O2/c1-3-26(2)15-17-9-6-7-14-27(17)16-21(29)28-20-12-5-4-10-18(20)23(30)25-19-11-8-13-24-22(19)28/h4-5,8,10-13,17H,3,6-7,9,14-16H2,1-2H3,(H,25,30)
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n/an/a 1.50E+3n/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
Transforming protein RhoA


(Homo sapiens)
BDBM50436224
PNG
(CHEMBL2398697)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C27H22F6N2O3/c28-26(29,30)19-12-18(13-20(14-19)27(31,32)33)25(37)35-11-5-6-17(16-35)24(36)34-21-7-4-10-23(15-21)38-22-8-2-1-3-9-22/h1-4,7-10,12-15,17H,5-6,11,16H2,(H,34,36)
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n/an/a 1.50E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens)
BDBM50436223
PNG
(CHEMBL2398698)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C28H24F6N2O2/c29-27(30,31)22-14-21(15-23(16-22)28(32,33)34)26(38)36-11-5-9-20(17-36)25(37)35-24-10-4-8-19(13-24)12-18-6-2-1-3-7-18/h1-4,6-8,10,13-16,20H,5,9,11-12,17H2,(H,35,37)
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n/an/a 1.60E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50030215
PNG
(4-Hexadecanoylamino-naphthalene-1,5-disulfonic aci...)
Show SMILES CCCCCCCCCCCCCCCC(=O)Nc1ccc(c2cccc(c12)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C26H39NO7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25(28)27-22-19-20-23(35(29,30)31)21-16-15-17-24(26(21)22)36(32,33)34/h15-17,19-20H,2-14,18H2,1H3,(H,27,28)(H,29,30,31)(H,32,33,34)
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n/an/a 1.60E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
The 50% inhibitory concentration was measured as inhibition of RNA-dependent DNA polymerase activity


J Med Chem 37: 2513-9 (1994)


Article DOI: 10.1021/jm00042a004
BindingDB Entry DOI: 10.7270/Q2HQ3XXX
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50018308
PNG
(11-[2-(2-Diethylaminomethyl-azepan-1-yl)-acetyl]-5...)
Show SMILES CCN(CC)CC1CCCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H33N5O2/c1-3-28(4-2)17-19-11-6-5-9-16-29(19)18-23(31)30-22-14-8-7-12-20(22)25(32)27-21-13-10-15-26-24(21)30/h7-8,10,12-15,19H,3-6,9,11,16-18H2,1-2H3,(H,27,32)
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n/an/a 2.00E+3n/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 receptor M2 and M3


(RAT)
BDBM50018299
PNG
(11-[2-(2-Diethylaminomethyl-pyrrolidin-1-yl)-acety...)
Show SMILES CCN(CC)CC1CCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C23H29N5O2/c1-3-26(4-2)15-17-9-8-14-27(17)16-21(29)28-20-12-6-5-10-18(20)23(30)25-19-11-7-13-24-22(19)28/h5-7,10-13,17H,3-4,8-9,14-16H2,1-2H3,(H,25,30)
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n/an/a 2.00E+3n/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 receptor M2 and M3


(RAT)
BDBM50018296
PNG
(11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(CC)cc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C26H35N5O2/c1-4-19-12-13-23-21(16-19)26(33)28-22-11-9-14-27-25(22)31(23)24(32)18-30-15-8-7-10-20(30)17-29(5-2)6-3/h9,11-14,16,20H,4-8,10,15,17-18H2,1-3H3,(H,28,33)
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n/an/a 2.00E+3n/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 receptor M2 and M3


(RAT)
BDBM50018294
PNG
(11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2cc(C)ccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H33N5O2/c1-4-28(5-2)16-19-9-6-7-14-29(19)17-23(31)30-22-15-18(3)11-12-20(22)25(32)27-21-10-8-13-26-24(21)30/h8,10-13,15,19H,4-7,9,14,16-17H2,1-3H3,(H,27,32)
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n/an/a 2.00E+3n/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
Transforming protein RhoA


(Homo sapiens)
BDBM50436222
PNG
(CHEMBL2398699)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(OCCc2ccccn2)c1
Show InChI InChI=1S/C28H25F6N3O3/c29-27(30,31)20-13-19(14-21(15-20)28(32,33)34)26(39)37-11-4-5-18(17-37)25(38)36-23-7-3-8-24(16-23)40-12-9-22-6-1-2-10-35-22/h1-3,6-8,10,13-16,18H,4-5,9,11-12,17H2,(H,36,38)
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n/an/a 2.30E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50018301
PNG
(11-[2-(2-Ethylaminomethyl-piperidin-1-yl)-acetyl]-...)
Show SMILES CCNCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C22H27N5O2/c1-2-23-14-16-8-5-6-13-26(16)15-20(28)27-19-11-4-3-9-17(19)22(29)25-18-10-7-12-24-21(18)27/h3-4,7,9-12,16,23H,2,5-6,8,13-15H2,1H3,(H,25,29)
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n/an/a 3.00E+3n/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
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