Found 32 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 |
|---|
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50004000
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1 | PDB
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PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50313194
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc4ccccc34)cc21 |r| Show InChI InChI=1S/C24H25N3O2/c1-24-13-14-26(2)22(24)27(3)21-12-11-17(15-19(21)24)29-23(28)25-20-10-6-8-16-7-4-5-9-18(16)20/h4-12,15,22H,13-14H2,1-3H3,(H,25,28)/t22-,24+/m1/s1 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM50014107
((-)-(4-Methoxy-phenyl)-carbamic acid 1,3a,8-trimet...)Show SMILES COc1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(C)CC[C@@]4(C)c3c2)cc1 Show InChI InChI=1S/C21H25N3O3/c1-21-11-12-23(2)19(21)24(3)18-10-9-16(13-17(18)21)27-20(25)22-14-5-7-15(26-4)8-6-14/h5-10,13,19H,11-12H2,1-4H3,(H,22,25)/t19-,21+/m1/s1 | Reactome pathway
KEGG
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PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat plasma BChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50313190
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc(Cl)c3C)cc21 |r| Show InChI InChI=1S/C21H24ClN3O2/c1-13-16(22)6-5-7-17(13)23-20(26)27-14-8-9-18-15(12-14)21(2)10-11-24(3)19(21)25(18)4/h5-9,12,19H,10-11H2,1-4H3,(H,23,26)/t19-,21+/m1/s1 | PDB
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| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50313191
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccc(C)c(Cl)c3)cc21 |r| Show InChI InChI=1S/C21H24ClN3O2/c1-13-5-6-14(11-17(13)22)23-20(26)27-15-7-8-18-16(12-15)21(2)9-10-24(3)19(21)25(18)4/h5-8,11-12,19H,9-10H2,1-4H3,(H,23,26)/t19-,21+/m1/s1 | PDB
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| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM50004000
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1 | Reactome pathway
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| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat plasma BChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM50313191
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccc(C)c(Cl)c3)cc21 |r| Show InChI InChI=1S/C21H24ClN3O2/c1-13-5-6-14(11-17(13)22)23-20(26)27-15-7-8-18-16(12-15)21(2)9-10-24(3)19(21)25(18)4/h5-8,11-12,19H,9-10H2,1-4H3,(H,23,26)/t19-,21+/m1/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat plasma BChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50313195
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)NC3CCCCC3)cc21 |r| Show InChI InChI=1S/C20H29N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h9-10,13-14,18H,4-8,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1 | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM10958
((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)ccc1N2C |r| Show InChI InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1 | PDB
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PubMed
| n/a | n/a | 11.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM50313194
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc4ccccc34)cc21 |r| Show InChI InChI=1S/C24H25N3O2/c1-24-13-14-26(2)22(24)27(3)21-12-11-17(15-19(21)24)29-23(28)25-20-10-6-8-16-7-4-5-9-18(16)20/h4-12,15,22H,13-14H2,1-3H3,(H,25,28)/t22-,24+/m1/s1 | Reactome pathway
KEGG
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| n/a | n/a | 14.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat plasma BChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM50313184
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccc(Br)cc3)cc21 |r| Show InChI InChI=1S/C20H22BrN3O2/c1-20-10-11-23(2)18(20)24(3)17-9-8-15(12-16(17)20)26-19(25)22-14-6-4-13(21)5-7-14/h4-9,12,18H,10-11H2,1-3H3,(H,22,25)/t18-,20+/m1/s1 | Reactome pathway
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| n/a | n/a | 14.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat plasma BChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50014107
((-)-(4-Methoxy-phenyl)-carbamic acid 1,3a,8-trimet...)Show SMILES COc1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(C)CC[C@@]4(C)c3c2)cc1 Show InChI InChI=1S/C21H25N3O3/c1-21-11-12-23(2)19(21)24(3)18-10-9-16(13-17(18)21)27-20(25)22-14-5-7-15(26-4)8-6-14/h5-10,13,19H,11-12H2,1-4H3,(H,22,25)/t19-,21+/m1/s1 | PDB
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| n/a | n/a | 29.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50313185
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc(Cl)c3)cc21 |r| Show InChI InChI=1S/C20H22ClN3O2/c1-20-9-10-23(2)18(20)24(3)17-8-7-15(12-16(17)20)26-19(25)22-14-6-4-5-13(21)11-14/h4-8,11-12,18H,9-10H2,1-3H3,(H,22,25)/t18-,20+/m1/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 38.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM50313188
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccccc3Br)cc21 |r| Show InChI InChI=1S/C20H22BrN3O2/c1-20-10-11-23(2)18(20)24(3)17-9-8-13(12-14(17)20)26-19(25)22-16-7-5-4-6-15(16)21/h4-9,12,18H,10-11H2,1-3H3,(H,22,25)/t18-,20+/m1/s1 | Reactome pathway
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| n/a | n/a | 39.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat plasma BChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM50313183
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccc(Cl)cc3)cc21 |r| Show InChI InChI=1S/C20H22ClN3O2/c1-20-10-11-23(2)18(20)24(3)17-9-8-15(12-16(17)20)26-19(25)22-14-6-4-13(21)5-7-14/h4-9,12,18H,10-11H2,1-3H3,(H,22,25)/t18-,20+/m1/s1 | Reactome pathway
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PubMed
| n/a | n/a | 61.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat plasma BChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50313189
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc(Cl)c3Cl)cc21 |r| Show InChI InChI=1S/C20H21Cl2N3O2/c1-20-9-10-24(2)18(20)25(3)16-8-7-12(11-13(16)20)27-19(26)23-15-6-4-5-14(21)17(15)22/h4-8,11,18H,9-10H2,1-3H3,(H,23,26)/t18-,20+/m1/s1 | PDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 66.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50313188
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccccc3Br)cc21 |r| Show InChI InChI=1S/C20H22BrN3O2/c1-20-10-11-23(2)18(20)24(3)17-9-8-13(12-14(17)20)26-19(25)22-16-7-5-4-6-15(16)21/h4-9,12,18H,10-11H2,1-3H3,(H,22,25)/t18-,20+/m1/s1 | PDB
MMDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM50313187
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccccc3Cl)cc21 |r| Show InChI InChI=1S/C20H22ClN3O2/c1-20-10-11-23(2)18(20)24(3)17-9-8-13(12-14(17)20)26-19(25)22-16-7-5-4-6-15(16)21/h4-9,12,18H,10-11H2,1-3H3,(H,22,25)/t18-,20+/m1/s1 | Reactome pathway
KEGG
UniProtKB/TrEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 88.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat plasma BChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM10958
((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)ccc1N2C |r| Show InChI InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1 | Reactome pathway
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| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat plasma BChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM50313185
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc(Cl)c3)cc21 |r| Show InChI InChI=1S/C20H22ClN3O2/c1-20-9-10-23(2)18(20)24(3)17-8-7-15(12-16(17)20)26-19(25)22-14-6-4-5-13(21)11-14/h4-8,11-12,18H,9-10H2,1-3H3,(H,22,25)/t18-,20+/m1/s1 | Reactome pathway
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| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat plasma BChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50313192
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cc(Cl)cc(Cl)c3)cc21 |r| Show InChI InChI=1S/C20H21Cl2N3O2/c1-20-6-7-24(2)18(20)25(3)17-5-4-15(11-16(17)20)27-19(26)23-14-9-12(21)8-13(22)10-14/h4-5,8-11,18H,6-7H2,1-3H3,(H,23,26)/t18-,20+/m1/s1 | PDB
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| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM50313190
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc(Cl)c3C)cc21 |r| Show InChI InChI=1S/C21H24ClN3O2/c1-13-16(22)6-5-7-17(13)23-20(26)27-14-8-9-18-15(12-14)21(2)10-11-24(3)19(21)25(18)4/h5-9,12,19H,10-11H2,1-4H3,(H,23,26)/t19-,21+/m1/s1 | Reactome pathway
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| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat plasma BChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50313184
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccc(Br)cc3)cc21 |r| Show InChI InChI=1S/C20H22BrN3O2/c1-20-10-11-23(2)18(20)24(3)17-9-8-15(12-16(17)20)26-19(25)22-14-6-4-13(21)5-7-14/h4-9,12,18H,10-11H2,1-3H3,(H,22,25)/t18-,20+/m1/s1 | PDB
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| n/a | n/a | 168 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50313187
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccccc3Cl)cc21 |r| Show InChI InChI=1S/C20H22ClN3O2/c1-20-10-11-23(2)18(20)24(3)17-9-8-13(12-14(17)20)26-19(25)22-16-7-5-4-6-15(16)21/h4-9,12,18H,10-11H2,1-3H3,(H,22,25)/t18-,20+/m1/s1 | PDB
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| n/a | n/a | 264 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50313186
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc(c3)C#N)cc21 |r| Show InChI InChI=1S/C21H22N4O2/c1-21-9-10-24(2)19(21)25(3)18-8-7-16(12-17(18)21)27-20(26)23-15-6-4-5-14(11-15)13-22/h4-8,11-12,19H,9-10H2,1-3H3,(H,23,26)/t19-,21+/m1/s1 | PDB
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| n/a | n/a | 442 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM50313189
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc(Cl)c3Cl)cc21 |r| Show InChI InChI=1S/C20H21Cl2N3O2/c1-20-9-10-24(2)18(20)25(3)16-8-7-12(11-13(16)20)27-19(26)23-15-6-4-5-14(21)17(15)22/h4-8,11,18H,9-10H2,1-3H3,(H,23,26)/t18-,20+/m1/s1 | Reactome pathway
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| n/a | n/a | 517 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat plasma BChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50313193
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C26H35N3O2/c1-16(2)19-9-8-10-20(17(3)4)23(19)27-25(30)31-18-11-12-22-21(15-18)26(5)13-14-28(6)24(26)29(22)7/h8-12,15-17,24H,13-14H2,1-7H3,(H,27,30)/t24-,26+/m1/s1 | PDB
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| n/a | n/a | 735 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM50313193
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C26H35N3O2/c1-16(2)19-9-8-10-20(17(3)4)23(19)27-25(30)31-18-11-12-22-21(15-18)26(5)13-14-28(6)24(26)29(22)7/h8-12,15-17,24H,13-14H2,1-7H3,(H,27,30)/t24-,26+/m1/s1 | Reactome pathway
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| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat plasma BChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50313183
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccc(Cl)cc3)cc21 |r| Show InChI InChI=1S/C20H22ClN3O2/c1-20-10-11-23(2)18(20)24(3)17-9-8-15(12-16(17)20)26-19(25)22-14-6-4-13(21)5-7-14/h4-9,12,18H,10-11H2,1-3H3,(H,22,25)/t18-,20+/m1/s1 | PDB
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| n/a | n/a | 914 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM50313192
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cc(Cl)cc(Cl)c3)cc21 |r| Show InChI InChI=1S/C20H21Cl2N3O2/c1-20-6-7-24(2)18(20)25(3)17-5-4-15(11-16(17)20)27-19(26)23-14-9-12(21)8-13(22)10-14/h4-5,8-11,18H,6-7H2,1-3H3,(H,23,26)/t18-,20+/m1/s1 | Reactome pathway
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| n/a | n/a | 935 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat plasma BChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM50313186
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc(c3)C#N)cc21 |r| Show InChI InChI=1S/C21H22N4O2/c1-21-9-10-24(2)19(21)25(3)18-8-7-16(12-17(18)21)27-20(26)23-15-6-4-5-14(11-15)13-22/h4-8,11-12,19H,9-10H2,1-3H3,(H,23,26)/t19-,21+/m1/s1 | Reactome pathway
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| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat plasma BChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM50313195
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)NC3CCCCC3)cc21 |r| Show InChI InChI=1S/C20H29N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h9-10,13-14,18H,4-8,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1 | Reactome pathway
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| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Inhibition of rat plasma BChE by Ellman's method |
Bioorg Med Chem Lett 20: 1532-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV |
More data for this
Ligand-Target Pair | |
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