Found 421 hits of ki for UniProtKB: P23141 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50412684
(CHEMBL467451)Show InChI InChI=1S/C13H25F3O4S/c1-2-3-4-5-6-7-8-9-10-21(19,20)11-12(17,18)13(14,15)16/h17-18H,2-11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of human carboxylesterase 1 after 24 hrs |
Bioorg Med Chem 17: 149-64 (2008)
Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50468028
(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
| 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)) | BDBM50412687
(CHEMBL463556)Show InChI InChI=1S/C15H29F3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-22(21)13-14(19,20)15(16,17)18/h19-20H,2-13H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of human carboxylesterase 1 after 24 hrs |
Bioorg Med Chem 17: 149-64 (2008)
Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50412686
(CHEMBL467450)Show InChI InChI=1S/C15H29F3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-23(21,22)13-14(19,20)15(16,17)18/h19-20H,2-13H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of human carboxylesterase 1 after 24 hrs |
Bioorg Med Chem 17: 149-64 (2008)
Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50468026
(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
| 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)) | BDBM50412685
(CHEMBL464002)Show InChI InChI=1S/C13H25F3O3S/c1-2-3-4-5-6-7-8-9-10-20(19)11-12(17,18)13(14,15)16/h17-18H,2-11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of human carboxylesterase 1 after 24 hrs |
Bioorg Med Chem 17: 149-64 (2008)
Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50412693
(CHEMBL460806)Show InChI InChI=1S/C11H21F3O3S/c1-2-3-4-5-6-7-8-18(17)9-10(15,16)11(12,13)14/h15-16H,2-9H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.603 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of human carboxylesterase 1 after 24 hrs |
Bioorg Med Chem 17: 149-64 (2008)
Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50412692
(CHEMBL460807)Show InChI InChI=1S/C11H21F3O4S/c1-2-3-4-5-6-7-8-19(17,18)9-10(15,16)11(12,13)14/h15-16H,2-9H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.603 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of human carboxylesterase 1 after 24 hrs |
Bioorg Med Chem 17: 149-64 (2008)
Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50412691
(CHEMBL449775)Show InChI InChI=1S/C9H17F3O4S/c1-2-3-4-5-6-17(15,16)7-8(13,14)9(10,11)12/h13-14H,2-7H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.708 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of human carboxylesterase 1 after 24 hrs |
Bioorg Med Chem 17: 149-64 (2008)
Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50350329
(CHEMBL1812859)Show InChI InChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17(19)18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.840 | 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 liver carboxylesterase1 using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry |
Bioorg Med Chem 19: 4635-43 (2011)
Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9 |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50412690
(CHEMBL449475)Show InChI InChI=1S/C9H17F3O3/c1-2-3-4-5-6-15-7-8(13,14)9(10,11)12/h13-14H,2-7H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of human carboxylesterase 1 after 24 hrs |
Bioorg Med Chem 17: 149-64 (2008)
Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM22859
(1,2-Dione-Based Compound, 16 | 1,2-dihydroaceanthr...)Show InChI InChI=1S/C16H8O2/c17-15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(13(10)12)16(15)18/h1-8H | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 50: 5727-34 (2007)
Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50350326
(CHEMBL1812864)Show InChI InChI=1S/C14H18O2/c1-2-3-4-8-11-13(15)14(16)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.19 | 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 liver carboxylesterase1 using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry |
Bioorg Med Chem 19: 4635-43 (2011)
Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9 |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50371959
(CHEMBL86668)Show InChI InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of human carboxylesterase 1 after 24 hrs |
Bioorg Med Chem 17: 149-64 (2008)
Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50468029
(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
| 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)) | BDBM22857
(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)Show InChI InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 50: 5727-34 (2007)
Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM22857
(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)Show InChI InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.5 | 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 by spectrophotometric assay |
J Nat Prod 76: 36-44 (2013)
Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50350321
(CHEMBL1812856)Show InChI InChI=1S/C12H22O2/c1-3-5-7-9-11(13)12(14)10-8-6-4-2/h3-10H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3 | 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 liver carboxylesterase1 using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry |
Bioorg Med Chem 19: 4635-43 (2011)
Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9 |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50412694
(CHEMBL460808)Show InChI InChI=1S/C9H17F3O3S/c1-2-3-4-5-6-16(15)7-8(13,14)9(10,11)12/h13-14H,2-7H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of human carboxylesterase 1 after 24 hrs |
Bioorg Med Chem 17: 149-64 (2008)
Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50468027
(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
| 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 | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50371969
(CHEMBL270374)Show InChI InChI=1S/C13H23F3OS/c1-2-3-4-5-6-7-8-9-10-18-11-12(17)13(14,15)16/h2-11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of human carboxylesterase 1 after 24 hrs |
Bioorg Med Chem 17: 149-64 (2008)
Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50371970
(CHEMBL89506)Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 4.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of human carboxylesterase 1 after 24 hrs |
Bioorg Med Chem 17: 149-64 (2008)
Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50233201
(CHEMBL4101254)Show InChI InChI=1S/C17H12O3/c1-11-6-8-12(9-7-11)20-16-10-15(18)17(19)14-5-3-2-4-13(14)16/h2-10H,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.40 | 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 liver CES1 expressed in baculovirus infected sf9 cells using oseltamivir as substrate |
J Med Chem 60: 1568-1579 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01849 BindingDB Entry DOI: 10.7270/Q2FF3VMP |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50233200
(CHEMBL4071772)Show InChI InChI=1S/C16H9IO3/c17-10-5-7-11(8-6-10)20-15-9-14(18)16(19)13-4-2-1-3-12(13)15/h1-9H | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.70 | 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 liver CES1 expressed in baculovirus infected sf9 cells using oseltamivir as substrate |
J Med Chem 60: 1568-1579 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01849 BindingDB Entry DOI: 10.7270/Q2FF3VMP |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50350327
(CHEMBL1812857)Show InChI InChI=1S/C14H26O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h3-12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.80 | 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 by spectrophotometric assay |
J Nat Prod 76: 36-44 (2013)
Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50350327
(CHEMBL1812857)Show InChI InChI=1S/C14H26O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h3-12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.80 | 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 liver carboxylesterase1 using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry |
Bioorg Med Chem 19: 4635-43 (2011)
Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9 |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50233189
(CHEMBL4090451)Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(C)cc1 |t:2| Show InChI InChI=1S/C18H15NO2/c1-12-7-9-13(10-8-12)19(2)16-11-17(20)18(21)15-6-4-3-5-14(15)16/h3-11H,1-2H3 | PDB
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| Article PubMed
| 4.90 | 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 liver CES1 expressed in baculovirus infected sf9 cells using oseltamivir as substrate |
J Med Chem 60: 1568-1579 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01849 BindingDB Entry DOI: 10.7270/Q2FF3VMP |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM22850
(1,2-Dione-Based Compound, 7 | 1,2-dicyclohexyletha...)Show InChI InChI=1S/C14H22O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h11-12H,1-10H2 | PDB
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| Article PubMed
| 5 | 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 liver carboxylesterase1 using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry |
Bioorg Med Chem 19: 4635-43 (2011)
Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9 |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50371971
(CHEMBL440542)Show InChI InChI=1S/C9H15F3OS/c1-2-3-4-5-6-14-7-8(13)9(10,11)12/h2-7H2,1H3 | PDB
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UniProtKB/SwissProt
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Similars
| Article PubMed
| 5.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of human carboxylesterase 1 after 24 hrs |
Bioorg Med Chem 17: 149-64 (2008)
Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50371973
(CHEMBL402615)Show InChI InChI=1S/C7H11F3OS/c1-2-3-4-12-5-6(11)7(8,9)10/h2-5H2,1H3 | PDB
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UniProtKB/SwissProt
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Similars
| Article PubMed
| 5.37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of human carboxylesterase 1 after 24 hrs |
Bioorg Med Chem 17: 149-64 (2008)
Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50412688
(CHEMBL510996)Show InChI InChI=1S/C11H13F3O2S/c12-11(13,14)10(15,16)8-17-7-6-9-4-2-1-3-5-9/h1-5,15-16H,6-8H2 | PDB
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UniProtKB/SwissProt
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| Article PubMed
| 6.03 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of human carboxylesterase 1 after 24 hrs |
Bioorg Med Chem 17: 149-64 (2008)
Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50412689
(CHEMBL460809)Show InChI InChI=1S/C11H11F3OS/c12-11(13,14)10(15)8-16-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2 | PDB
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| Article PubMed
| 6.46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of human carboxylesterase 1 after 24 hrs |
Bioorg Med Chem 17: 149-64 (2008)
Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50350325
(CHEMBL1812863)Show InChI InChI=1S/C13H16O2/c1-2-3-5-10-12(14)13(15)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3 | PDB
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Similars
| Article PubMed
| 6.65 | 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 liver carboxylesterase1 using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry |
Bioorg Med Chem 19: 4635-43 (2011)
Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9 |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50350325
(CHEMBL1812863)Show InChI InChI=1S/C13H16O2/c1-2-3-5-10-12(14)13(15)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3 | PDB
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UniProtKB/SwissProt
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Similars
| Article PubMed
| 6.70 | 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 by spectrophotometric assay |
J Nat Prod 76: 36-44 (2013)
Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50371972
(CHEMBL270375)Show InChI InChI=1S/C15H27F3OS/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-14(19)15(16,17)18/h2-13H2,1H3 | PDB
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| Article PubMed
| 7.41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of human carboxylesterase 1 after 24 hrs |
Bioorg Med Chem 17: 149-64 (2008)
Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50350328
(CHEMBL1812858)Show InChI InChI=1S/C16H30O2/c1-3-5-7-9-11-13-15(17)16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3 | PDB
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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.60 | 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 liver carboxylesterase1 using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry |
Bioorg Med Chem 19: 4635-43 (2011)
Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9 |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50350328
(CHEMBL1812858)Show InChI InChI=1S/C16H30O2/c1-3-5-7-9-11-13-15(17)16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3 | PDB
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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.60 | 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 by spectrophotometric assay |
J Nat Prod 76: 36-44 (2013)
Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM22759
(1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-...)Show SMILES O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H14O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14H | PDB
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| 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of human carboxylesterase 1 |
Bioorg Med Chem 17: 149-64 (2008)
Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM22845
(1-{[4-({4-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)me...)Show SMILES O=C1N(Cc2ccc(Cc3ccc(CN4C(=O)C(=O)c5ccccc45)cc3)cc2)c2ccccc2C1=O Show InChI InChI=1S/C31H22N2O4/c34-28-24-5-1-3-7-26(24)32(30(28)36)18-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)19-33-27-8-4-2-6-25(27)29(35)31(33)37/h1-16H,17-19H2 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 50: 1876-85 (2007)
Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM22759
(1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-...)Show SMILES O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H14O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14H | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 50: 5727-34 (2007)
Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM22759
(1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-...)Show SMILES O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H14O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14H | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 48: 2906-15 (2005)
Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM22842
(1-dodecyl-2,3-dihydro-1H-indole-2,3-dione | CHEMBL...)Show InChI InChI=1S/C20H29NO2/c1-2-3-4-5-6-7-8-9-10-13-16-21-18-15-12-11-14-17(18)19(22)20(21)23/h11-12,14-15H,2-10,13,16H2,1H3 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 50: 1876-85 (2007)
Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50233189
(CHEMBL4090451)Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(C)cc1 |t:2| Show InChI InChI=1S/C18H15NO2/c1-12-7-9-13(10-8-12)19(2)16-11-17(20)18(21)15-6-4-3-5-14(15)16/h3-11H,1-2H3 | PDB
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Similars
| Article PubMed
| 11 | 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 liver CES1 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interval for... |
J Med Chem 60: 1568-1579 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01849 BindingDB Entry DOI: 10.7270/Q2FF3VMP |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50458262
(CHEMBL4212576)Show InChI InChI=1S/C14H11FO2/c15-11-7-9-6-5-8-3-1-2-4-10(8)12(9)14(17)13(11)16/h5-7H,1-4H2 | PDB
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| Article PubMed
| 12 | 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 liver carboxylesterase 1 using o-nitrophenyl acetate as substrate |
Eur J Med Chem 149: 79-89 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.052 BindingDB Entry DOI: 10.7270/Q2K076WP |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50233194
(CHEMBL4087100)Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(Cl)cc1 |t:2| Show InChI InChI=1S/C17H12ClNO2/c1-19(12-8-6-11(18)7-9-12)15-10-16(20)17(21)14-5-3-2-4-13(14)15/h2-10H,1H3 | PDB
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| Article PubMed
| 13 | 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 liver CES1 expressed in baculovirus infected sf9 cells using oseltamivir as substrate |
J Med Chem 60: 1568-1579 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01849 BindingDB Entry DOI: 10.7270/Q2FF3VMP |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50233199
(CHEMBL4098780)Show InChI InChI=1S/C16H9BrO3/c17-10-5-7-11(8-6-10)20-15-9-14(18)16(19)13-4-2-1-3-12(13)15/h1-9H | PDB
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| 14 | 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 liver CES1 expressed in baculovirus infected sf9 cells using oseltamivir as substrate |
J Med Chem 60: 1568-1579 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01849 BindingDB Entry DOI: 10.7270/Q2FF3VMP |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50458275
(CHEMBL4204853)Show SMILES CC1(C)CCc2ccc3C(F)=CC(=O)C(=O)c3c2C1 |c:10| Show InChI InChI=1S/C16H15FO2/c1-16(2)6-5-9-3-4-10-12(17)7-13(18)15(19)14(10)11(9)8-16/h3-4,7H,5-6,8H2,1-2H3 | PDB
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| Article PubMed
| 14 | 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 liver carboxylesterase 1 using o-nitrophenyl acetate as substrate |
Eur J Med Chem 149: 79-89 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.052 BindingDB Entry DOI: 10.7270/Q2K076WP |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM22722
(1,2-diphenylethane-1,2-dione | Benzil | CHEMBL1898...)Show InChI InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H | PDB
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| 15 | 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 liver carboxylesterase1 using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry |
Bioorg Med Chem 19: 4635-43 (2011)
Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9 |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM22858
(1,2-Dione-Based Compound, 15 | 2-nitro-9,10-dihydr...)Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21 Show InChI InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H | PDB
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| 15.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 50: 5727-34 (2007)
Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM22843
(1-hexadecyl-2,3-dihydro-1H-indole-2,3-dione | Isat...)Show InChI InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-22-19-16-15-18-21(22)23(26)24(25)27/h15-16,18-19H,2-14,17,20H2,1H3 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 50: 1876-85 (2007)
Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK |
More data for this Ligand-Target Pair | |