BindingDB logo
myBDB logout

PubMed code 8464039

Compile data set for download or QSAR
Found 12 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 acetylcholine receptor M2


(RAT)		BDBM50450592
PNG
(CHEMBL558910)
Show SMILES OC(C(=O)O[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(8.38,-12.97,;7.3,-14.07,;8.63,-14.83,;8.64,-16.37,;9.97,-14.06,;11.3,-14.82,;11.3,-16.36,;12.63,-17.13,;13.96,-16.36,;13.96,-14.82,;12.63,-14.05,;13.05,-15.29,;12,-15.64,;5.97,-14.84,;4.63,-14.07,;3.3,-14.84,;3.31,-16.38,;4.65,-17.15,;5.98,-16.37,;7.29,-12.53,;8.62,-11.76,;8.62,-10.22,;7.28,-9.45,;5.95,-10.23,;5.96,-11.77,)|
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



Oak Ridge National Laboratory

Curated by ChEMBL


Assay Description
Ability to displace [3H](-)-quinuclidinyl bezilate(QNB) from M2 receptor in rat heart homogenate

J Med Chem 36: 848-54 (1993)


BindingDB Entry DOI: 10.7270/Q2S46SM0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)		BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
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

GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
 0.120n/an/an/an/an/an/an/an/a



Oak Ridge National Laboratory

Curated by ChEMBL


Assay Description
Ability to displace [3H]N-methylscopolamine (NMS) from M3 receptor in rat submaxillary gland homogenate

J Med Chem 36: 848-54 (1993)


BindingDB Entry DOI: 10.7270/Q2S46SM0
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 |r,wD:5.4,(8.38,-12.97,;7.3,-14.07,;8.63,-14.83,;8.64,-16.37,;9.97,-14.06,;11.3,-14.82,;11.3,-16.36,;12.63,-17.13,;13.96,-16.36,;13.96,-14.82,;12.63,-14.05,;13.05,-15.29,;12,-15.64,;5.97,-14.84,;4.63,-14.07,;3.3,-14.84,;3.31,-16.38,;4.65,-17.15,;5.98,-16.37,;7.29,-12.53,;8.62,-11.76,;8.62,-10.22,;7.28,-9.45,;5.95,-10.23,;5.96,-11.77,)|
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



Oak Ridge National Laboratory

Curated by ChEMBL


Assay Description
Ability to displace [3H]pirenzepine (PZ) from M1 receptor in rat cortex homogenate

J Med Chem 36: 848-54 (1993)


BindingDB Entry DOI: 10.7270/Q2S46SM0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)		BDBM50450592
PNG
(CHEMBL558910)
Show SMILES OC(C(=O)O[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(8.38,-12.97,;7.3,-14.07,;8.63,-14.83,;8.64,-16.37,;9.97,-14.06,;11.3,-14.82,;11.3,-16.36,;12.63,-17.13,;13.96,-16.36,;13.96,-14.82,;12.63,-14.05,;13.05,-15.29,;12,-15.64,;5.97,-14.84,;4.63,-14.07,;3.3,-14.84,;3.31,-16.38,;4.65,-17.15,;5.98,-16.37,;7.29,-12.53,;8.62,-11.76,;8.62,-10.22,;7.28,-9.45,;5.95,-10.23,;5.96,-11.77,)|
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

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
PubMed
 0.160n/an/an/an/an/an/an/an/a



Oak Ridge National Laboratory

Curated by ChEMBL


Assay Description
Ability to displace [3H]N-methylscopolamine (NMS) from M3 receptor in rat submaxillary gland homogenate

J Med Chem 36: 848-54 (1993)


BindingDB Entry DOI: 10.7270/Q2S46SM0
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 |r,THB:9:7:1:3.4|
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
MCE
KEGG
PC cid
PC sid
UniChem

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



Oak Ridge National Laboratory

Curated by ChEMBL


Assay Description
Ability to displace [3H]pirenzepine (PZ) from M1 receptor in rat cortex homogenate

J Med Chem 36: 848-54 (1993)


BindingDB Entry DOI: 10.7270/Q2S46SM0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)		BDBM50456344
PNG
(CHEMBL2112942)
Show SMILES OC(CC=CI)(C(=O)OC1CN2CCC1CC2)c1ccccc1 |(8.21,-10.55,;8.2,-9.01,;9.52,-9.78,;11.01,-9.37,;12.1,-10.45,;12.09,-12,;8.2,-7.46,;6.88,-6.69,;9.55,-6.69,;10.32,-5.34,;10.34,-3.8,;11.68,-3.03,;13,-3.83,;12.99,-5.35,;11.65,-6.11,;11,-5.18,;10.91,-4.29,;6.85,-9.78,;5.53,-8.97,;4.19,-9.75,;4.18,-11.27,;5.53,-12.06,;6.85,-11.3,)|
Show InChI InChI=1S/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.270n/an/an/an/an/an/an/an/a



Oak Ridge National Laboratory

Curated by ChEMBL


Assay Description
Ability to displace [3H]N-methylscopolamine (NMS) from M3 receptor in rat submaxillary gland homogenate

J Med Chem 36: 848-54 (1993)


BindingDB Entry DOI: 10.7270/Q2S46SM0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
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
MCE
KEGG
PC cid
PC sid
UniChem

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



Oak Ridge National Laboratory

Curated by ChEMBL


Assay Description
Ability to displace [3H](-)-quinuclidinyl bezilate(QNB) from M2 receptor in rat heart homogenate

J Med Chem 36: 848-54 (1993)


BindingDB Entry DOI: 10.7270/Q2S46SM0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50456344
PNG
(CHEMBL2112942)
Show SMILES OC(CC=CI)(C(=O)OC1CN2CCC1CC2)c1ccccc1 |(8.21,-10.55,;8.2,-9.01,;9.52,-9.78,;11.01,-9.37,;12.1,-10.45,;12.09,-12,;8.2,-7.46,;6.88,-6.69,;9.55,-6.69,;10.32,-5.34,;10.34,-3.8,;11.68,-3.03,;13,-3.83,;12.99,-5.35,;11.65,-6.11,;11,-5.18,;10.91,-4.29,;6.85,-9.78,;5.53,-8.97,;4.19,-9.75,;4.18,-11.27,;5.53,-12.06,;6.85,-11.3,)|
Show InChI InChI=1S/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.780n/an/an/an/an/an/an/an/a



Oak Ridge National Laboratory

Curated by ChEMBL


Assay Description
Ability to displace [3H]pirenzepine (PZ) from M1 receptor in rat cortex homogenate

J Med Chem 36: 848-54 (1993)


BindingDB Entry DOI: 10.7270/Q2S46SM0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50456344
PNG
(CHEMBL2112942)
Show SMILES OC(CC=CI)(C(=O)OC1CN2CCC1CC2)c1ccccc1 |(8.21,-10.55,;8.2,-9.01,;9.52,-9.78,;11.01,-9.37,;12.1,-10.45,;12.09,-12,;8.2,-7.46,;6.88,-6.69,;9.55,-6.69,;10.32,-5.34,;10.34,-3.8,;11.68,-3.03,;13,-3.83,;12.99,-5.35,;11.65,-6.11,;11,-5.18,;10.91,-4.29,;6.85,-9.78,;5.53,-8.97,;4.19,-9.75,;4.18,-11.27,;5.53,-12.06,;6.85,-11.3,)|
Show InChI InChI=1S/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.10n/an/an/an/an/an/an/an/a



Oak Ridge National Laboratory

Curated by ChEMBL


Assay Description
Ability to displace [3H](-)-quinuclidinyl bezilate(QNB) from M2 receptor in rat heart homogenate

J Med Chem 36: 848-54 (1993)


BindingDB Entry DOI: 10.7270/Q2S46SM0
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
MCE
KEGG
PC cid
PC sid
UniChem

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



Oak Ridge National Laboratory

Curated by ChEMBL


Assay Description
Ability to displace [3H]pirenzepine (PZ) from M1 receptor in rat cortex homogenate

J Med Chem 36: 848-54 (1993)


BindingDB Entry DOI: 10.7270/Q2S46SM0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor 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

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
 28n/an/an/an/an/an/an/an/a



Oak Ridge National Laboratory

Curated by ChEMBL


Assay Description
Ability to displace [3H]N-methylscopolamine (NMS) from M3 receptor in rat submaxillary gland homogenate

J Med Chem 36: 848-54 (1993)


BindingDB Entry DOI: 10.7270/Q2S46SM0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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
MCE
KEGG
PC cid
PC sid
UniChem

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



Oak Ridge National Laboratory

Curated by ChEMBL


Assay Description
Ability to displace [3H](-)-quinuclidinyl bezilate(QNB) from M2 receptor in rat heart homogenate

J Med Chem 36: 848-54 (1993)


BindingDB Entry DOI: 10.7270/Q2S46SM0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%