Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50003192 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 |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50468028
![PNG](/data/jpeg/tenK5046/BindingDB_50468028.png) (CHEMBL4290236)Show InChI InChI=1S/C19H18O4/c1-10-9-22-16-12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(21)23-17(20)14(10)16/h6-7,9H,4-5,8H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 0.328 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human CE1 using o-NPA as substrate |
J Nat Prod 81: 2410-2418 (2018)
Article DOI: 10.1021/acs.jnatprod.8b00378 BindingDB Entry DOI: 10.7270/Q2NC63XX |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50468026
![PNG](/data/jpeg/tenK5046/BindingDB_50468026.png) (CHEMBL4293626)Show SMILES C[C@H]1COc2c1c(=O)oc(=O)c1c3CCCC(C)(C)c3ccc21 |r| Show InChI InChI=1S/C19H20O4/c1-10-9-22-16-12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(21)23-17(20)14(10)16/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 0.417 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human CE1 using o-NPA as substrate |
J Nat Prod 81: 2410-2418 (2018)
Article DOI: 10.1021/acs.jnatprod.8b00378 BindingDB Entry DOI: 10.7270/Q2NC63XX |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50468029
![PNG](/data/jpeg/tenK5046/BindingDB_50468029.png) (CHEMBL4282357)Show InChI InChI=1S/C18H12O4/c1-9-4-3-5-12-11(9)6-7-13-15(12)18(20)22-17(19)14-10(2)8-21-16(13)14/h3-8H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human CE1 using o-NPA as substrate |
J Nat Prod 81: 2410-2418 (2018)
Article DOI: 10.1021/acs.jnatprod.8b00378 BindingDB Entry DOI: 10.7270/Q2NC63XX |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50468027
![PNG](/data/jpeg/tenK5046/BindingDB_50468027.png) (CHEMBL4285759)Show SMILES C[C@H]1COc2c1c(=O)oc(=O)c1c2ccc2c(C)cccc12 |r| Show InChI InChI=1S/C18H14O4/c1-9-4-3-5-12-11(9)6-7-13-15(12)18(20)22-17(19)14-10(2)8-21-16(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human CE1 using o-NPA as substrate |
J Nat Prod 81: 2410-2418 (2018)
Article DOI: 10.1021/acs.jnatprod.8b00378 BindingDB Entry DOI: 10.7270/Q2NC63XX |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50468026
![PNG](/data/jpeg/tenK5046/BindingDB_50468026.png) (CHEMBL4293626)Show SMILES C[C@H]1COc2c1c(=O)oc(=O)c1c3CCCC(C)(C)c3ccc21 |r| Show InChI InChI=1S/C19H20O4/c1-10-9-22-16-12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(21)23-17(20)14(10)16/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human BuChE using butyrylhiocholine as substrate |
J Nat Prod 81: 2410-2418 (2018)
Article DOI: 10.1021/acs.jnatprod.8b00378 BindingDB Entry DOI: 10.7270/Q2NC63XX |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50468026
![PNG](/data/jpeg/tenK5046/BindingDB_50468026.png) (CHEMBL4293626)Show SMILES C[C@H]1COc2c1c(=O)oc(=O)c1c3CCCC(C)(C)c3ccc21 |r| Show InChI InChI=1S/C19H20O4/c1-10-9-22-16-12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(21)23-17(20)14(10)16/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human AChE using acetylthiocholine as substrate |
J Nat Prod 81: 2410-2418 (2018)
Article DOI: 10.1021/acs.jnatprod.8b00378 BindingDB Entry DOI: 10.7270/Q2NC63XX |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50468028
![PNG](/data/jpeg/tenK5046/BindingDB_50468028.png) (CHEMBL4290236)Show InChI InChI=1S/C19H18O4/c1-10-9-22-16-12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(21)23-17(20)14(10)16/h6-7,9H,4-5,8H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human AChE using acetylthiocholine as substrate |
J Nat Prod 81: 2410-2418 (2018)
Article DOI: 10.1021/acs.jnatprod.8b00378 BindingDB Entry DOI: 10.7270/Q2NC63XX |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50468027
![PNG](/data/jpeg/tenK5046/BindingDB_50468027.png) (CHEMBL4285759)Show SMILES C[C@H]1COc2c1c(=O)oc(=O)c1c2ccc2c(C)cccc12 |r| Show InChI InChI=1S/C18H14O4/c1-9-4-3-5-12-11(9)6-7-13-15(12)18(20)22-17(19)14-10(2)8-21-16(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human BuChE using butyrylhiocholine as substrate |
J Nat Prod 81: 2410-2418 (2018)
Article DOI: 10.1021/acs.jnatprod.8b00378 BindingDB Entry DOI: 10.7270/Q2NC63XX |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50468028
![PNG](/data/jpeg/tenK5046/BindingDB_50468028.png) (CHEMBL4290236)Show InChI InChI=1S/C19H18O4/c1-10-9-22-16-12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(21)23-17(20)14(10)16/h6-7,9H,4-5,8H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human BuChE using butyrylhiocholine as substrate |
J Nat Prod 81: 2410-2418 (2018)
Article DOI: 10.1021/acs.jnatprod.8b00378 BindingDB Entry DOI: 10.7270/Q2NC63XX |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50468029
![PNG](/data/jpeg/tenK5046/BindingDB_50468029.png) (CHEMBL4282357)Show InChI InChI=1S/C18H12O4/c1-9-4-3-5-12-11(9)6-7-13-15(12)18(20)22-17(19)14-10(2)8-21-16(13)14/h3-8H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human BuChE using butyrylhiocholine as substrate |
J Nat Prod 81: 2410-2418 (2018)
Article DOI: 10.1021/acs.jnatprod.8b00378 BindingDB Entry DOI: 10.7270/Q2NC63XX |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50468029
![PNG](/data/jpeg/tenK5046/BindingDB_50468029.png) (CHEMBL4282357)Show InChI InChI=1S/C18H12O4/c1-9-4-3-5-12-11(9)6-7-13-15(12)18(20)22-17(19)14-10(2)8-21-16(13)14/h3-8H,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human AChE using acetylthiocholine as substrate |
J Nat Prod 81: 2410-2418 (2018)
Article DOI: 10.1021/acs.jnatprod.8b00378 BindingDB Entry DOI: 10.7270/Q2NC63XX |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50468027
![PNG](/data/jpeg/tenK5046/BindingDB_50468027.png) (CHEMBL4285759)Show SMILES C[C@H]1COc2c1c(=O)oc(=O)c1c2ccc2c(C)cccc12 |r| Show InChI InChI=1S/C18H14O4/c1-9-4-3-5-12-11(9)6-7-13-15(12)18(20)22-17(19)14-10(2)8-21-16(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human AChE using acetylthiocholine as substrate |
J Nat Prod 81: 2410-2418 (2018)
Article DOI: 10.1021/acs.jnatprod.8b00378 BindingDB Entry DOI: 10.7270/Q2NC63XX |
More data for this Ligand-Target Pair | |