BindingDB logo
myBDB logout

PubMed code 1920350

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic receptor M2 and M3


(RAT)
BDBM50450592
PNG
(CHEMBL558910)
Show SMILES OC(C(=O)O[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2/t19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PubMed
0.0300n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50450592
PNG
(CHEMBL558910)
Show SMILES OC(C(=O)O[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PubMed
0.150n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
0.260n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
0.760n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM73402
PNG
(1-Phenyl-cyclopentanecarboxylic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50010099
PNG
(1-(4-Iodo-phenyl)-cyclopentanecarboxylic acid 2-di...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(I)cc1
Show InChI InChI=1S/C18H26INO2/c1-3-20(4-2)13-14-22-17(21)18(11-5-6-12-18)15-7-9-16(19)10-8-15/h7-10H,3-6,11-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50010101
PNG
(2-(diethylamino)ethyl 1-cyclohexylcyclohexanecarbo...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1
Show InChI InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
2.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
5.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50010097
PNG
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 2-d...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H26N2O4/c1-3-19(4-2)13-14-24-17(21)18(11-5-6-12-18)15-7-9-16(10-8-15)20(22)23/h7-10H,3-6,11-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
5.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50010102
PNG
(1-(4-Cyano-phenyl)-cyclopentanecarboxylic acid 2-d...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H26N2O2/c1-3-21(4-2)13-14-23-18(22)19(11-5-6-12-19)17-9-7-16(15-20)8-10-17/h7-10H,3-6,11-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
8.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50010098
PNG
(1-(4-Tetrazol-1-yl-phenyl)-cyclopentanecarboxylic ...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C19H27N5O2/c1-3-23(4-2)13-14-26-18(25)19(11-5-6-12-19)16-7-9-17(10-8-16)24-15-20-21-22-24/h7-10,15H,3-6,11-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
15n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50010100
PNG
(1-(4-Amino-phenyl)-cyclopentanecarboxylic acid 2-d...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(N)cc1
Show InChI InChI=1S/C18H28N2O2/c1-3-20(4-2)13-14-22-17(21)18(11-5-6-12-18)15-7-9-16(19)10-8-15/h7-10H,3-6,11-14,19H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM73402
PNG
(1-Phenyl-cyclopentanecarboxylic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
32n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50010101
PNG
(2-(diethylamino)ethyl 1-cyclohexylcyclohexanecarbo...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1
Show InChI InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
47n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50010100
PNG
(1-(4-Amino-phenyl)-cyclopentanecarboxylic acid 2-d...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(N)cc1
Show InChI InChI=1S/C18H28N2O2/c1-3-20(4-2)13-14-22-17(21)18(11-5-6-12-18)15-7-9-16(19)10-8-15/h7-10H,3-6,11-14,19H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
116n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50010099
PNG
(1-(4-Iodo-phenyl)-cyclopentanecarboxylic acid 2-di...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(I)cc1
Show InChI InChI=1S/C18H26INO2/c1-3-20(4-2)13-14-22-17(21)18(11-5-6-12-18)15-7-9-16(19)10-8-15/h7-10H,3-6,11-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
123n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50010095
PNG
(1-(4-Pyrrolidin-1-yl-phenyl)-cyclopentanecarboxyli...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C22H34N2O2/c1-3-23(4-2)17-18-26-21(25)22(13-5-6-14-22)19-9-11-20(12-10-19)24-15-7-8-16-24/h9-12H,3-8,13-18H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
151n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50010102
PNG
(1-(4-Cyano-phenyl)-cyclopentanecarboxylic acid 2-d...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H26N2O2/c1-3-21(4-2)13-14-23-18(22)19(11-5-6-12-19)17-9-7-16(15-20)8-10-17/h7-10H,3-6,11-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
213n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
267n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50010097
PNG
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 2-d...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H26N2O4/c1-3-19(4-2)13-14-24-17(21)18(11-5-6-12-18)15-7-9-16(10-8-15)20(22)23/h7-10H,3-6,11-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
390n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50010098
PNG
(1-(4-Tetrazol-1-yl-phenyl)-cyclopentanecarboxylic ...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C19H27N5O2/c1-3-23(4-2)13-14-26-18(25)19(11-5-6-12-19)16-7-9-17(10-8-16)24-15-20-21-22-24/h7-10,15H,3-6,11-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
432n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50010095
PNG
(1-(4-Pyrrolidin-1-yl-phenyl)-cyclopentanecarboxyli...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C22H34N2O2/c1-3-23(4-2)17-18-26-21(25)22(13-5-6-14-22)19-9-11-20(12-10-19)24-15-7-8-16-24/h9-12H,3-8,13-18H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
551n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%