Found 12 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50403547
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2CJ8GQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50405720
(CHEMBL2115342)Show SMILES C[C@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |wU:1.2,wD:6.5,1.1,THB:5:6:10.9:12.13,(-.9,-11.74,;-.13,-10.4,;.64,-9.06,;1.2,-11.18,;1.2,-12.72,;2.53,-10.4,;4.08,-10.4,;4.03,-11.69,;5.38,-10.64,;6.78,-11.57,;6.74,-10.39,;5.41,-9.62,;5.49,-8.49,;4.44,-9.01,;-1.47,-9.63,;-2.81,-10.4,;-4.14,-9.63,;-4.14,-8.07,;-2.81,-7.3,;-1.47,-8.07,)| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2CJ8GQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50228362
(CHEMBL1202960)Show SMILES Cl.Cl.OC(CN1CCSCC1)(C(=O)OC1CN2CCC1CC2)c1ccccc1 |(10.34,-1.66,;7.78,-1.66,;-1.56,-.37,;-1.57,-1.6,;-2.91,-2.36,;-2.93,-3.9,;-4.27,-4.66,;-4.28,-6.2,;-2.96,-6.98,;-1.62,-6.22,;-1.6,-4.68,;-.25,-2.38,;-.26,-3.62,;1.1,-1.63,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,;-2.9,-.82,;-4.24,-1.57,;-5.57,-.79,;-5.55,.75,;-4.21,1.5,;-2.88,.72,)| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2CJ8GQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50228375
(CHEMBL1202955)Show SMILES Cl.Cl.OC(CN1CCOCC1)(C(=O)OC1CN2CCC1CC2)c1ccccc1 |(10.34,-1.66,;7.78,-1.66,;-1.56,-.37,;-1.57,-1.6,;-2.91,-2.36,;-2.93,-3.9,;-4.27,-4.66,;-4.28,-6.2,;-2.96,-6.98,;-1.62,-6.22,;-1.6,-4.68,;-.25,-2.38,;-.26,-3.62,;1.1,-1.63,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,;-2.9,-.82,;-4.24,-1.57,;-5.57,-.79,;-5.55,.75,;-4.21,1.5,;-2.88,.72,)| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 195 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2CJ8GQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50228357
(CHEMBL1202954)Show SMILES Cl.Cl.CC1COCC(C)N1CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1 |(10.34,-1.66,;7.78,-1.66,;-.53,-4.07,;-1.6,-4.68,;-1.62,-6.22,;-2.96,-6.98,;-4.28,-6.2,;-4.27,-4.66,;-5.33,-4.03,;-2.93,-3.9,;-2.91,-2.36,;-1.57,-1.6,;-1.56,-.37,;-.25,-2.38,;-.26,-3.62,;1.1,-1.63,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,;-2.9,-.82,;-4.24,-1.57,;-5.57,-.79,;-5.55,.75,;-4.21,1.5,;-2.88,.72,)| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2CJ8GQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50228377
(CHEMBL1202958)Show SMILES Cl.OC(CN1CCNCC1)(C(=O)OC1CN2CCC1CC2)c1ccccc1 |(7.78,-1.66,;-1.56,-.37,;-1.57,-1.6,;-2.91,-2.36,;-2.93,-3.9,;-4.27,-4.66,;-4.28,-6.2,;-2.96,-6.98,;-1.62,-6.22,;-1.6,-4.68,;-.25,-2.38,;-.26,-3.62,;1.1,-1.63,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,;-2.9,-.82,;-4.24,-1.57,;-5.57,-.79,;-5.55,.75,;-4.21,1.5,;-2.88,.72,)| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2CJ8GQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50228354
(CHEMBL557216)Show SMILES [I-].C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(CN1CCOCC1)c1ccccc1 |TLB:10:8:3.4:7.6,(16.62,-7.46,;13.88,-5.4,;13.9,-3.88,;15.47,-4.83,;16.27,-3.69,;14.73,-2.76,;14.72,-1.69,;13.9,-2.51,;12.54,-3.36,;12.25,-4.76,;11.5,-4.15,;10.01,-3.78,;9.57,-2.3,;8.93,-4.89,;7.84,-6.01,;10.05,-5.96,;10.13,-7.51,;11.5,-8.18,;11.58,-9.73,;10.29,-10.57,;8.93,-9.87,;8.85,-8.34,;7.81,-3.81,;6.33,-4.25,;5.22,-3.18,;5.59,-1.68,;7.07,-1.25,;8.18,-2.32,)| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2CJ8GQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50228376
(CHEMBL320755)Show SMILES OC(CN1CCC2(CC1)OCCO2)(C(=O)OC1CN2CCC1CC2)c1ccccc1 |THB:15:16:22.23:20.19,(6.52,-6.31,;7.62,-5.19,;8.74,-6.26,;8.83,-7.8,;7.54,-8.64,;7.61,-10.16,;8.98,-10.87,;10.27,-10.02,;10.18,-8.48,;7.66,-11.62,;7.63,-13.15,;10.29,-13.16,;10.3,-11.62,;8.69,-4.07,;8.26,-2.6,;10.18,-4.45,;11.22,-3.66,;10.94,-5.06,;12.58,-4.19,;12.58,-2.82,;13.41,-1.99,;13.41,-3.08,;14.95,-4,;14.15,-5.13,;6.5,-4.11,;5.03,-4.54,;3.9,-3.48,;4.28,-1.99,;5.76,-1.56,;6.87,-2.62,)| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2CJ8GQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50228355
(CHEMBL1202956)Show SMILES Cl.Cl.OC(CN1CCCCC1)(C(=O)OC1CN2CCC1CC2)c1ccccc1 |(10.34,-1.66,;7.78,-1.66,;-1.56,-.37,;-1.57,-1.6,;-2.91,-2.36,;-2.93,-3.9,;-4.27,-4.66,;-4.28,-6.2,;-2.96,-6.98,;-1.62,-6.22,;-1.6,-4.68,;-.25,-2.38,;-.26,-3.62,;1.1,-1.63,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,;-2.9,-.82,;-4.24,-1.57,;-5.57,-.79,;-5.55,.75,;-4.21,1.5,;-2.88,.72,)| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2CJ8GQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50228356
(CHEMBL1202957)Show SMILES Cl.CN1CCN(CC(O)(C(=O)OC2CN3CCC2CC3)c2ccccc2)CC1 |(7.78,-1.66,;-2.97,-8.21,;-2.96,-6.98,;-4.28,-6.2,;-4.27,-4.66,;-2.93,-3.9,;-2.91,-2.36,;-1.57,-1.6,;-1.56,-.37,;-.25,-2.38,;-.26,-3.62,;1.1,-1.63,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,;-2.9,-.82,;-4.24,-1.57,;-5.57,-.79,;-5.55,.75,;-4.21,1.5,;-2.88,.72,;-1.6,-4.68,;-1.62,-6.22,)| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2CJ8GQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50228353
(CHEMBL1202959)Show SMILES Cl.OC(CN1CCCC1)(C(=O)OC1CN2CCC1CC2)c1ccccc1 |(7.78,-1.66,;-1.56,-.37,;-1.57,-1.6,;-2.91,-2.36,;-2.93,-3.9,;-4.18,-4.77,;-3.72,-6.24,;-2.18,-6.25,;-1.69,-4.79,;-.25,-2.38,;-.26,-3.62,;1.1,-1.63,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,;-2.9,-.82,;-4.24,-1.57,;-5.57,-.79,;-5.55,.75,;-4.21,1.5,;-2.88,.72,)| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2CJ8GQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50228378
(CHEMBL1202961)Show SMILES Cl.Cl.COCCN(CCOC)CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1 |(10.34,.26,;7.77,.26,;3.73,-5.95,;3.74,-4.72,;2.41,-3.94,;2.42,-2.4,;1.1,-1.62,;1.11,-.08,;2.44,.68,;2.45,2.22,;3.35,2.73,;-.24,-2.38,;-1.57,-1.6,;-.5,-.99,;-1.56,-.06,;-2.62,.57,;-.21,.7,;-.2,2.24,;-1.59,3.06,;-1.55,4.67,;-.13,5.45,;1.26,4.61,;1.24,2.99,;-.05,3.12,;-.04,4.37,;-2.91,-2.36,;-2.93,-3.9,;-4.27,-4.65,;-5.59,-3.87,;-5.58,-2.33,;-4.24,-1.57,)| 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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2CJ8GQS |
More data for this
Ligand-Target Pair | |
Search and Browse
