Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50037203 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 |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Therapeutic concentration on reverse transcriptase |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Beta-lactamase
(Escherichia coli) | BDBM31770
(Exelderm | Sulconazole Nitrate | cid_65495 | sulco...)Show InChI InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of beta-lactamase |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Malate dehydrogenase, cytoplasmic
(Homo sapiens (Human)) | BDBM31770
(Exelderm | Sulconazole Nitrate | cid_65495 | sulco...)Show InChI InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of malate dehydrogenase (MDH) |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM31774
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of beta-lactamase |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50367298
(Cardene | NICARDIPINE)Show SMILES COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21| Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,22,24H,13-14,16H2,1-4H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of beta-lactamase |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Malate dehydrogenase, cytoplasmic
(Homo sapiens (Human)) | BDBM31772
(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of malate dehydrogenase (MDH) |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM31773
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of beta-lactamase |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Malate dehydrogenase, cytoplasmic
(Homo sapiens (Human)) | BDBM31773
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of malate dehydrogenase (MDH) |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Malate dehydrogenase, cytoplasmic
(Homo sapiens (Human)) | BDBM31774
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of malate dehydrogenase (MDH) |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM31772
(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of beta-lactamase |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Malate dehydrogenase, cytoplasmic
(Homo sapiens (Human)) | BDBM50367298
(Cardene | NICARDIPINE)Show SMILES COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21| Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,22,24H,13-14,16H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of malate dehydrogenase (MDH) |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM31774
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of Chymotrypsinogen |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Malate dehydrogenase, cytoplasmic
(Homo sapiens (Human)) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of malate dehydrogenase (MDH) |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50134035
(BENZYL BENZOATE | CHEMBL1239)Show InChI InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of beta-lactamase |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of beta-lactamase |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM31770
(Exelderm | Sulconazole Nitrate | cid_65495 | sulco...)Show InChI InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of Chymotrypsinogen |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Malate dehydrogenase, cytoplasmic
(Homo sapiens (Human)) | BDBM50134035
(BENZYL BENZOATE | CHEMBL1239)Show InChI InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of malate dehydrogenase (MDH) |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM31772
(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of Chymotrypsinogen |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of Chymotrypsinogen |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Malate dehydrogenase, cytoplasmic
(Homo sapiens (Human)) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of malate dehydrogenase (MDH) |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of beta-lactamase |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM31773
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of Chymotrypsinogen |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Malate dehydrogenase, cytoplasmic
(Homo sapiens (Human)) | BDBM50002861
(3-(4,5-Diphenyl-oxazol-2-yl)-propionic acid | CHEM...)Show InChI InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of malate dehydrogenase (MDH) |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM50367298
(Cardene | NICARDIPINE)Show SMILES COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21| Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,22,24H,13-14,16H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of Chymotrypsinogen |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM50002861
(3-(4,5-Diphenyl-oxazol-2-yl)-propionic acid | CHEM...)Show InChI InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of Chymotrypsinogen |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM1944
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of Chymotrypsinogen |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Malate dehydrogenase, cytoplasmic
(Homo sapiens (Human)) | BDBM50134036
(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of malate dehydrogenase (MDH) |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM50134035
(BENZYL BENZOATE | CHEMBL1239)Show InChI InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of Chymotrypsinogen |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50012957
(1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfon...)Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of beta-lactamase |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50134036
(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of beta-lactamase |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM50012957
(1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfon...)Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of Chymotrypsinogen |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of Chymotrypsinogen |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM50002861
(3-(4,5-Diphenyl-oxazol-2-yl)-propionic acid | CHEM...)Show InChI InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of beta-lactamase |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Malate dehydrogenase, cytoplasmic
(Homo sapiens (Human)) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of malate dehydrogenase (MDH) |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Escherichia coli) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of beta-lactamase |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |
Malate dehydrogenase, cytoplasmic
(Homo sapiens (Human)) | BDBM50012957
(1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfon...)Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of malate dehydrogenase (MDH) |
J Med Chem 46: 4477-86 (2003)
Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C |
More data for this Ligand-Target Pair | |