Found 313 hits with Last Name = 'fidock' and Initial = 'da' 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 |
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii) | BDBM50174768
(5‐chloro‐2‐(2‐chloro‐...)Show InChI InChI=1S/C12H8Cl2O3/c13-7-1-3-12(10(16)5-7)17-11-4-2-8(15)6-9(11)14/h1-6,15-16H | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Johns Hopkins Bloomberg School of Public Health
| Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot... |
Biochemistry 52: 9155-66 (2013)
Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27 |
More data for this Ligand-Target Pair | |
Plasmepsin X
(Plasmodium falciparum (isolate 3D7)) | BDBM50591320
(CHEMBL5190700)Show SMILES C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(NC(=O)c2cccc(c2)C#N)c1Cl |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16 |
More data for this Ligand-Target Pair | |
Plasmepsin X
(Plasmodium falciparum (isolate 3D7)) | BDBM50591320
(CHEMBL5190700)Show SMILES C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(NC(=O)c2cccc(c2)C#N)c1Cl |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16 |
More data for this Ligand-Target Pair | |
Plasmepsin X
(Plasmodium falciparum (isolate 3D7)) | BDBM50591317
(CHEMBL5191783)Show SMILES C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16 |
More data for this Ligand-Target Pair | |
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii) | BDBM25407
(2‐(2,4‐dichlorophenoxy)‐5‐...)Show InChI InChI=1S/C14H12Cl2O2/c1-2-9-3-5-14(12(17)7-9)18-13-6-4-10(15)8-11(13)16/h3-8,17H,2H2,1H3 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Johns Hopkins Bloomberg School of Public Health
| Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot... |
Biochemistry 52: 9155-66 (2013)
Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27 |
More data for this Ligand-Target Pair | |
Plasmepsin X
(Plasmodium falciparum (isolate 3D7)) | BDBM50591318
(CHEMBL5204196)Show SMILES C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2cnc(nc2)C2CC2)c1Cl |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii) | BDBM50174760
(2‐[4‐(benzylamino)‐2‐chlor...)Show InChI InChI=1S/C19H15Cl2NO2/c20-14-6-8-19(17(23)10-14)24-18-9-7-15(11-16(18)21)22-12-13-4-2-1-3-5-13/h1-11,22-23H,12H2 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Johns Hopkins Bloomberg School of Public Health
| Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot... |
Biochemistry 52: 9155-66 (2013)
Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27 |
More data for this Ligand-Target Pair | |
Plasmepsin X
(Plasmodium falciparum (isolate 3D7)) | BDBM50591315
(CHEMBL5172999)Show SMILES C[C@]1(CC(=O)N(C2CCOCC2)C(=N)N1)c1cccc(Nc2ccccc2)c1Cl |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16 |
More data for this Ligand-Target Pair | |
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Johns Hopkins Bloomberg School of Public Health
| Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot... |
Biochemistry 52: 9155-66 (2013)
Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii) | BDBM50174774
(2‐({[3‐chloro‐4‐(4‐c...)Show InChI InChI=1S/C20H14Cl2N2O2/c21-15-5-7-20(18(25)9-15)26-19-8-6-16(10-17(19)22)24-12-14-4-2-1-3-13(14)11-23/h1-10,24-25H,12H2 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Johns Hopkins Bloomberg School of Public Health
| Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot... |
Biochemistry 52: 9155-66 (2013)
Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27 |
More data for this Ligand-Target Pair | |
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii) | BDBM119865
(6‐chloro‐3‐(2,4‐dichloroph...)Show InChI InChI=1S/C13H6Cl3NO2/c14-7-1-3-11(10(16)5-7)19-12-4-2-9(15)8(6-17)13(12)18/h1-5,18H | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Johns Hopkins Bloomberg School of Public Health
| Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot... |
Biochemistry 52: 9155-66 (2013)
Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27 |
More data for this Ligand-Target Pair | |
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii) | BDBM50435717
(CHEMBL2392450 | N‐{[4‐(2,4‐dichl...)Show SMILES Cc1cc(no1)C(=O)NCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C18H14Cl2N2O4/c1-10-6-14(22-26-10)18(24)21-9-11-2-4-17(15(23)7-11)25-16-5-3-12(19)8-13(16)20/h2-8,23H,9H2,1H3,(H,21,24) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Johns Hopkins Bloomberg School of Public Health
| Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot... |
Biochemistry 52: 9155-66 (2013)
Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27 |
More data for this Ligand-Target Pair | |
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii) | BDBM119866
(3‐chloro‐6‐(2,4‐dichloroph...)Show InChI InChI=1S/C13H9Cl3O3/c14-7-1-3-11(10(16)5-7)19-12-4-2-9(15)8(6-17)13(12)18/h1-5,17-18H,6H2 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Johns Hopkins Bloomberg School of Public Health
| Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot... |
Biochemistry 52: 9155-66 (2013)
Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27 |
More data for this Ligand-Target Pair | |
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii) | BDBM25403
(4‐(2,4‐dichlorophenoxy)‐3‐...)Show InChI InChI=1S/C13H7Cl2NO2/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-6,17H | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Johns Hopkins Bloomberg School of Public Health
| Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot... |
Biochemistry 52: 9155-66 (2013)
Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27 |
More data for this Ligand-Target Pair | |
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii) | BDBM119867
(5‐chloro‐2‐[2‐chloro‐...)Show InChI InChI=1S/C15H11Cl2N3O2/c16-11-2-4-15(13(21)8-11)22-14-3-1-10(7-12(14)17)9-20-6-5-18-19-20/h1-8,21H,9H2 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Johns Hopkins Bloomberg School of Public Health
| Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot... |
Biochemistry 52: 9155-66 (2013)
Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27 |
More data for this Ligand-Target Pair | |
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii) | BDBM50431922
(5‐chloro‐2‐[2‐chloro‐...)Show InChI InChI=1S/C13H7Cl2F3O2/c14-8-2-4-12(10(19)6-8)20-11-3-1-7(5-9(11)15)13(16,17)18/h1-6,19H | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Johns Hopkins Bloomberg School of Public Health
| Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot... |
Biochemistry 52: 9155-66 (2013)
Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27 |
More data for this Ligand-Target Pair | |
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii) | BDBM119869
(5‐chloro‐2‐{2‐chloro‐...)Show InChI InChI=1S/C19H15Cl2NO2/c20-14-7-9-19(17(23)11-14)24-18-8-6-13(10-16(18)21)12-22-15-4-2-1-3-5-15/h1-11,22-23H,12H2 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Johns Hopkins Bloomberg School of Public Health
| Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot... |
Biochemistry 52: 9155-66 (2013)
Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27 |
More data for this Ligand-Target Pair | |
Plasmepsin X
(Plasmodium falciparum (isolate 3D7)) | BDBM50591319
(CHEMBL5204856)Show SMILES C[C@]1(CC(=O)N(C2CCOCC2)C(=N)N1)c1cccc(NC(=O)c2ccccc2)c1Cl |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16 |
More data for this Ligand-Target Pair | |
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii) | BDBM119870
(N‐{[3‐chloro‐4‐(4‐ch...)Show SMILES Cc1cc(CC(=O)NCc2ccc(Oc3ccc(Cl)cc3O)c(Cl)c2)on1 Show InChI InChI=1S/C19H16Cl2N2O4/c1-11-6-14(27-23-11)9-19(25)22-10-12-2-4-17(15(21)7-12)26-18-5-3-13(20)8-16(18)24/h2-8,24H,9-10H2,1H3,(H,22,25) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Johns Hopkins Bloomberg School of Public Health
| Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot... |
Biochemistry 52: 9155-66 (2013)
Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27 |
More data for this Ligand-Target Pair | |
Plasmepsin X
(Plasmodium falciparum (isolate 3D7)) | BDBM50591316
(CHEMBL5208335)Show SMILES C[C@]1(CC(=O)N(C2CCOCC2)C(=N)N1)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16 |
More data for this Ligand-Target Pair | |
Enoyl-ACP reductase
(Plasmodium falciparum) | BDBM25418
(2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol |...)Show InChI InChI=1S/C18H11Cl2FO2/c19-13-4-8-17(15(20)10-13)23-18-7-3-12(9-16(18)22)11-1-5-14(21)6-2-11/h1-10,22H | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | 7.9 | 25 |
Jacobus Pharmaceutical Company
| Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ... |
J Biol Chem 282: 25436-44 (2007)
Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD |
More data for this Ligand-Target Pair | |
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii) | BDBM50431923
(5‐chloro‐2‐(naphthalen‐2...)Show InChI InChI=1S/C16H11ClO2/c17-13-6-8-16(15(18)10-13)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10,18H | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Johns Hopkins Bloomberg School of Public Health
| Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot... |
Biochemistry 52: 9155-66 (2013)
Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27 |
More data for this Ligand-Target Pair | |
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii) | BDBM119868
(2‐{4‐[(4‐butyl‐1,2,3‐...)Show InChI InChI=1S/C19H19Cl2N3O2/c1-2-3-4-15-12-24(23-22-15)11-13-5-7-18(16(21)9-13)26-19-8-6-14(20)10-17(19)25/h5-10,12,25H,2-4,11H2,1H3 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Johns Hopkins Bloomberg School of Public Health
| Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot... |
Biochemistry 52: 9155-66 (2013)
Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27 |
More data for this Ligand-Target Pair | |
Enoyl-ACP reductase
(Plasmodium falciparum) | BDBM25403
(4‐(2,4‐dichlorophenoxy)‐3‐...)Show InChI InChI=1S/C13H7Cl2NO2/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-6,17H | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | 7.9 | 25 |
Jacobus Pharmaceutical Company
| Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ... |
J Biol Chem 282: 25436-44 (2007)
Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50174772
(CHEMBL200658 | N-(3-chloro-4-(4-chloro-2-hydroxyph...)Show InChI InChI=1S/C14H11Cl2NO3/c1-8(18)17-10-3-5-13(11(16)7-10)20-14-4-2-9(15)6-12(14)19/h2-7,19H,1H3,(H,17,18) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibition of PfENR enzymatic activity |
Bioorg Med Chem Lett 15: 5247-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50591315
(CHEMBL5172999)Show SMILES C[C@]1(CC(=O)N(C2CCOCC2)C(=N)N1)c1cccc(Nc2ccccc2)c1Cl |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16 |
More data for this Ligand-Target Pair | |
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii) | BDBM50431920
(5‐(4‐chloro‐2‐hydroxypheno...)Show InChI InChI=1S/C15H11ClN2O5/c1-8-6-13(18-23-8)17-15(20)12-4-5-14(22-12)21-11-3-2-9(16)7-10(11)19/h2-7,19H,1H3,(H,17,18,20) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Johns Hopkins Bloomberg School of Public Health
| Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot... |
Biochemistry 52: 9155-66 (2013)
Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27 |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50591317
(CHEMBL5191783)Show SMILES C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50238633
(CHEMBL4081080)Show SMILES N\C(CC(O)c1cc2c(F)cc(F)cc2c2cc(ccc12)C(F)(F)F)=N/N=C/c1ccc(F)cc1 Show InChI InChI=1S/C25H17F6N3O/c26-15-4-1-13(2-5-15)12-33-34-24(32)11-23(35)21-10-20-19(8-16(27)9-22(20)28)18-7-14(25(29,30)31)3-6-17(18)21/h1-10,12,23,35H,11H2,(H2,32,34)/b33-12+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01744 BindingDB Entry DOI: 10.7270/Q2WQ07WG |
More data for this Ligand-Target Pair | |
Enoyl-ACP reductase
(Plasmodium falciparum) | BDBM25419
(5-benzyl-2-(2,4-dichlorophenoxy)phenol | Triclosan...)Show InChI InChI=1S/C19H14Cl2O2/c20-15-7-9-18(16(21)12-15)23-19-8-6-14(11-17(19)22)10-13-4-2-1-3-5-13/h1-9,11-12,22H,10H2 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | 7.9 | 25 |
Jacobus Pharmaceutical Company
| Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ... |
J Biol Chem 282: 25436-44 (2007)
Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR enzymatic activity |
Bioorg Med Chem Lett 16: 2163-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.051 BindingDB Entry DOI: 10.7270/Q2154GNG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibition of PfENR enzymatic activity |
Bioorg Med Chem Lett 15: 5247-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-ACP reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | 7.9 | 25 |
Jacobus Pharmaceutical Company
| Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ... |
J Biol Chem 282: 25436-44 (2007)
Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-ACP reductase
(Plasmodium falciparum) | BDBM25420
(2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol | ...)Show InChI InChI=1S/C20H16Cl2O2/c21-16-9-11-19(17(22)13-16)24-20-10-8-15(12-18(20)23)7-6-14-4-2-1-3-5-14/h1-5,8-13,23H,6-7H2 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | 7.9 | 25 |
Jacobus Pharmaceutical Company
| Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ... |
J Biol Chem 282: 25436-44 (2007)
Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl carrier reductase ENR
(Toxoplasma gondii) | BDBM119871
(N‐{[3‐chloro‐4‐(4‐ch...)Show SMILES Cc1cc(no1)C(=O)NCc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1 Show InChI InChI=1S/C18H14Cl2N2O4/c1-10-6-14(22-26-10)18(24)21-9-11-2-4-16(13(20)7-11)25-17-5-3-12(19)8-15(17)23/h2-8,23H,9H2,1H3,(H,21,24) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Johns Hopkins Bloomberg School of Public Health
| Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot... |
Biochemistry 52: 9155-66 (2013)
Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27 |
More data for this Ligand-Target Pair | |
Enoyl-ACP reductase
(Plasmodium falciparum) | BDBM25407
(2‐(2,4‐dichlorophenoxy)‐5‐...)Show InChI InChI=1S/C14H12Cl2O2/c1-2-9-3-5-14(12(17)7-9)18-13-6-4-10(15)8-11(13)16/h3-8,17H,2H2,1H3 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | 7.9 | 25 |
Jacobus Pharmaceutical Company
| Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ... |
J Biol Chem 282: 25436-44 (2007)
Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Enoyl-ACP reductase
(Plasmodium falciparum) | BDBM25412
(2-(2,4-dichlorophenoxy)-5-(3-methylbutyl)phenol | ...)Show InChI InChI=1S/C17H18Cl2O2/c1-11(2)3-4-12-5-7-17(15(20)9-12)21-16-8-6-13(18)10-14(16)19/h5-11,20H,3-4H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | 7.9 | 25 |
Jacobus Pharmaceutical Company
| Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ... |
J Biol Chem 282: 25436-44 (2007)
Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50174775
(3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzonitrile...)Show InChI InChI=1S/C13H7Cl2NO2/c14-9-2-4-13(11(17)6-9)18-12-3-1-8(7-16)5-10(12)15/h1-6,17H | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibition of PfENR enzymatic activity |
Bioorg Med Chem Lett 15: 5247-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50174766
(3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzamide | ...)Show InChI InChI=1S/C13H9Cl2NO3/c14-8-2-4-12(10(17)6-8)19-11-3-1-7(13(16)18)5-9(11)15/h1-6,17H,(H2,16,18) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibition of PfENR enzymatic activity |
Bioorg Med Chem Lett 15: 5247-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50174760
(2‐[4‐(benzylamino)‐2‐chlor...)Show InChI InChI=1S/C19H15Cl2NO2/c20-14-6-8-19(17(23)10-14)24-18-9-7-15(11-16(18)21)22-12-13-4-2-1-3-5-13/h1-11,22-23H,12H2 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibition of PfENR enzymatic activity |
Bioorg Med Chem Lett 15: 5247-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF |
More data for this Ligand-Target Pair | |
Enoyl-ACP reductase
(Plasmodium falciparum) | BDBM25402
(2-(2,4-dichlorophenoxy)-5-phenylphenol | Triclosan...)Show InChI InChI=1S/C18H12Cl2O2/c19-14-7-9-17(15(20)11-14)22-18-8-6-13(10-16(18)21)12-4-2-1-3-5-12/h1-11,21H | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | 7.9 | 25 |
Jacobus Pharmaceutical Company
| Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ... |
J Biol Chem 282: 25436-44 (2007)
Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50174769
(CHEMBL198781 | N-(3-chloro-4-(4-chloro-2-hydroxyph...)Show SMILES Oc1cc(Cl)ccc1Oc1ccc(NS(=O)(=O)C(F)(F)F)cc1Cl Show InChI InChI=1S/C13H8Cl2F3NO4S/c14-7-1-3-12(10(20)5-7)23-11-4-2-8(6-9(11)15)19-24(21,22)13(16,17)18/h1-6,19-20H | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibition of PfENR enzymatic activity |
Bioorg Med Chem Lett 15: 5247-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF |
More data for this Ligand-Target Pair | |
Plasmepsin IX
(Plasmodium falciparum (isolate 3D7)) | BDBM50591320
(CHEMBL5190700)Show SMILES C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(NC(=O)c2cccc(c2)C#N)c1Cl |r| | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 142 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16 |
More data for this Ligand-Target Pair | |
Plasmepsin IX
(Plasmodium falciparum (isolate 3D7)) | BDBM50591320
(CHEMBL5190700)Show SMILES C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(NC(=O)c2cccc(c2)C#N)c1Cl |r| | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 142 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM79214
(1-[1,3-bis(chloranyl)-6-(trifluoromethyl)phenanthr...)Show SMILES CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(ccc12)C(F)(F)F Show InChI InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid UniChem
Similars
| DrugBank Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01744 BindingDB Entry DOI: 10.7270/Q2WQ07WG |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50174778
(1-(3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl)ur...)Show InChI InChI=1S/C13H10Cl2N2O3/c14-7-1-3-12(10(18)5-7)20-11-4-2-8(6-9(11)15)17-13(16)19/h1-6,18H,(H3,16,17,19) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibition of PfENR enzymatic activity |
Bioorg Med Chem Lett 15: 5247-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50174776
(CHEMBL200871 | N-(3-chloro-4-(4-chloro-2-hydroxyph...)Show InChI InChI=1S/C19H13Cl2NO3/c20-13-6-8-18(16(23)10-13)25-17-9-7-14(11-15(17)21)22-19(24)12-4-2-1-3-5-12/h1-11,23H,(H,22,24) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibition of PfENR enzymatic activity |
Bioorg Med Chem Lett 15: 5247-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50174770
(5-chloro-2-(2-chloro-4-nitrophenoxy)phenol | CHEMB...)Show InChI InChI=1S/C12H7Cl2NO4/c13-7-1-3-12(10(16)5-7)19-11-4-2-8(15(17)18)6-9(11)14/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibition of PfENR enzymatic activity |
Bioorg Med Chem Lett 15: 5247-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-ACP reductase
(Plasmodium falciparum) | BDBM25410
(2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol |...)Show InChI InChI=1S/C16H16Cl2O2/c1-10(2)7-11-3-5-16(14(19)8-11)20-15-6-4-12(17)9-13(15)18/h3-6,8-10,19H,7H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | 7.9 | 25 |
Jacobus Pharmaceutical Company
| Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ... |
J Biol Chem 282: 25436-44 (2007)
Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50591317
(CHEMBL5191783)Show SMILES C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01336 BindingDB Entry DOI: 10.7270/Q2988C16 |
More data for this Ligand-Target Pair | |