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PubMed code 2296026

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


(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?
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PubMed
0.450n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from rat ileum Muscarinic acetylcholine receptor


J Med Chem 33: 307-10 (1990)


Article DOI: 10.1021/jm00163a050
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50405720
PNG
(CHEMBL2115342)
Show SMILES C[C@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C16H21NO3/c1-16(19,13-5-3-2-4-6-13)15(18)20-14-11-17-9-7-12(14)8-10-17/h2-6,12,14,19H,7-11H2,1H3/t14-,16+/m0/s1
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PubMed
6n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from rat ileum Muscarinic acetylcholine receptor


J Med Chem 33: 307-10 (1990)


Article DOI: 10.1021/jm00163a050
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228362
PNG
(CHEMBL1202960)
Show SMILES Cl.Cl.OC(CN1CCSCC1)(C(=O)OC1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C20H28N2O3S.2ClH/c23-19(25-18-14-21-8-6-16(18)7-9-21)20(24,17-4-2-1-3-5-17)15-22-10-12-26-13-11-22;;/h1-5,16,18,24H,6-15H2;2*1H
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PubMed
158n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from rat ileum Muscarinic acetylcholine receptor


J Med Chem 33: 307-10 (1990)


Article DOI: 10.1021/jm00163a050
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228375
PNG
(CHEMBL1202955)
Show SMILES Cl.Cl.OC(CN1CCOCC1)(C(=O)OC1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C20H28N2O4.2ClH/c23-19(26-18-14-21-8-6-16(18)7-9-21)20(24,17-4-2-1-3-5-17)15-22-10-12-25-13-11-22;;/h1-5,16,18,24H,6-15H2;2*1H
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PubMed
195n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from rat ileum Muscarinic acetylcholine receptor


J Med Chem 33: 307-10 (1990)


Article DOI: 10.1021/jm00163a050
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228357
PNG
(CHEMBL1202954)
Show SMILES Cl.Cl.CC1COCC(C)N1CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C22H32N2O4.2ClH/c1-16-13-27-14-17(2)24(16)15-22(26,19-6-4-3-5-7-19)21(25)28-20-12-23-10-8-18(20)9-11-23;;/h3-7,16-18,20,26H,8-15H2,1-2H3;2*1H
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Article
PubMed
1.62E+3n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from rat ileum Muscarinic acetylcholine receptor


J Med Chem 33: 307-10 (1990)


Article DOI: 10.1021/jm00163a050
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228377
PNG
(CHEMBL1202958)
Show SMILES Cl.OC(CN1CCNCC1)(C(=O)OC1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C20H29N3O3.ClH/c24-19(26-18-14-22-10-6-16(18)7-11-22)20(25,17-4-2-1-3-5-17)15-23-12-8-21-9-13-23;/h1-5,16,18,21,25H,6-15H2;1H
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PubMed
2.38E+3n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from rat ileum Muscarinic acetylcholine receptor


J Med Chem 33: 307-10 (1990)


Article DOI: 10.1021/jm00163a050
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228354
PNG
(CHEMBL557216)
Show SMILES [I-].C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(CN1CCOCC1)c1ccccc1
Show InChI InChI=1S/C21H31N2O4.HI/c1-23-11-7-17(8-12-23)19(15-23)27-20(24)21(25,18-5-3-2-4-6-18)16-22-9-13-26-14-10-22;/h2-6,17,19,25H,7-16H2,1H3;1H/q+1;/p-1
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PubMed
3.98E+3n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from rat ileum Muscarinic acetylcholine receptor


J Med Chem 33: 307-10 (1990)


Article DOI: 10.1021/jm00163a050
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228376
PNG
(CHEMBL320755)
Show SMILES OC(CN1CCC2(CC1)OCCO2)(C(=O)OC1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C23H32N2O5/c26-21(30-20-16-24-10-6-18(20)7-11-24)23(27,19-4-2-1-3-5-19)17-25-12-8-22(9-13-25)28-14-15-29-22/h1-5,18,20,27H,6-17H2
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PubMed
5.24E+3n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from rat ileum Muscarinic acetylcholine receptor


J Med Chem 33: 307-10 (1990)


Article DOI: 10.1021/jm00163a050
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228355
PNG
(CHEMBL1202956)
Show SMILES Cl.Cl.OC(CN1CCCCC1)(C(=O)OC1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C21H30N2O3.2ClH/c24-20(26-19-15-22-13-9-17(19)10-14-22)21(25,18-7-3-1-4-8-18)16-23-11-5-2-6-12-23;;/h1,3-4,7-8,17,19,25H,2,5-6,9-16H2;2*1H
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PubMed
8.28E+3n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from rat ileum Muscarinic acetylcholine receptor


J Med Chem 33: 307-10 (1990)


Article DOI: 10.1021/jm00163a050
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228356
PNG
(CHEMBL1202957)
Show SMILES Cl.CN1CCN(CC(O)(C(=O)OC2CN3CCC2CC3)c2ccccc2)CC1
Show InChI InChI=1S/C21H31N3O3.ClH/c1-22-11-13-24(14-12-22)16-21(26,18-5-3-2-4-6-18)20(25)27-19-15-23-9-7-17(19)8-10-23;/h2-6,17,19,26H,7-16H2,1H3;1H
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Article
PubMed
9.19E+3n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from rat ileum Muscarinic acetylcholine receptor


J Med Chem 33: 307-10 (1990)


Article DOI: 10.1021/jm00163a050
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228353
PNG
(CHEMBL1202959)
Show SMILES Cl.OC(CN1CCCC1)(C(=O)OC1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C20H28N2O3.ClH/c23-19(25-18-14-21-12-8-16(18)9-13-21)20(24,15-22-10-4-5-11-22)17-6-2-1-3-7-17;/h1-3,6-7,16,18,24H,4-5,8-15H2;1H
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Article
PubMed
1.22E+4n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from rat ileum Muscarinic acetylcholine receptor


J Med Chem 33: 307-10 (1990)


Article DOI: 10.1021/jm00163a050
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228378
PNG
(CHEMBL1202961)
Show SMILES Cl.Cl.COCCN(CCOC)CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C22H34N2O5.2ClH/c1-27-14-12-24(13-15-28-2)17-22(26,19-6-4-3-5-7-19)21(25)29-20-16-23-10-8-18(20)9-11-23;;/h3-7,18,20,26H,8-17H2,1-2H3;2*1H
PDB

UniProtKB/SwissProt

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Patents

Article
PubMed
1.26E+4n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from rat ileum Muscarinic acetylcholine receptor


J Med Chem 33: 307-10 (1990)


Article DOI: 10.1021/jm00163a050
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%