Found 23 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 M2
(RAT) | BDBM50241132
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1 | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50241132
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1 | PDB
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| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50241132
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1 | PDB
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| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50241132
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1 | PDB
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| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50176065
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1 | PDB
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| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50176065
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50176065
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1 | PDB
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| 5.87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM39341
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)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
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM39341
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)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
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| 16.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM81799
(CAS_98299-40-2 | HHSiD | NSC_3602 | hexahydrosilad...)Show InChI InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2 | PDB
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| 30.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM81799
(CAS_98299-40-2 | HHSiD | NSC_3602 | hexahydrosilad...)Show InChI InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2 | PDB
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| 49.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM81799
(CAS_98299-40-2 | HHSiD | NSC_3602 | hexahydrosilad...)Show InChI InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2 | PDB
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| 162 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM39341
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)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
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| 188 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50018056
((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) | PDB
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| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50018056
((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) | PDB
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| 332 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50064176
(CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...)Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3 | PDB
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| 424 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM81799
(CAS_98299-40-2 | HHSiD | NSC_3602 | hexahydrosilad...)Show InChI InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2 | PDB
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| 452 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM39341
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)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
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| 529 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50064176
(CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...)Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3 | PDB
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| 638 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50064176
(CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...)Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3 | PDB
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| 653 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50064176
(CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...)Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3 | PDB
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| 833 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50018056
((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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50018056
((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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 256: 1173-81 (1991)
BindingDB Entry DOI: 10.7270/Q2BC3X18 |
More data for this
Ligand-Target Pair | |
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