Found 108 hits with Last Name = 'tasdemir' and Initial = 'd' 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 protein reductase
(Plasmodium falciparum) | BDBM50135169
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1 Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabI |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50220547
(4,5-Dibromo-1H-pyrrole-2-carboxylic acid [3-(2-ami...)Show SMILES Nc1ncc(C=CCNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1 |w:6.6| Show InChI InChI=1S/C11H11Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h1-2,4-5,18H,3H2,(H,15,19)(H3,14,16,17) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of London
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum FabI in presence of variable crotonyl-coA level |
Bioorg Med Chem 15: 6834-45 (2007)
Article DOI: 10.1016/j.bmc.2007.07.032 BindingDB Entry DOI: 10.7270/Q2VQ32DZ |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50220547
(4,5-Dibromo-1H-pyrrole-2-carboxylic acid [3-(2-ami...)Show SMILES Nc1ncc(C=CCNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1 |w:6.6| Show InChI InChI=1S/C11H11Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h1-2,4-5,18H,3H2,(H,15,19)(H3,14,16,17) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of London
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum FabI in presence of variable NADH levels |
Bioorg Med Chem 15: 6834-45 (2007)
Article DOI: 10.1016/j.bmc.2007.07.032 BindingDB Entry DOI: 10.7270/Q2VQ32DZ |
More data for this Ligand-Target Pair | |
3-oxoacyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabG in presence of NADPH |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
3-oxoacyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabG in presence of acetoacetyl-CoA |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabI |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50329257
(2-Hexadecynoic acid | CHEMBL1269411)Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of London
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis inhA |
Bioorg Med Chem 18: 7475-85 (2010)
Article DOI: 10.1016/j.bmc.2010.08.055 BindingDB Entry DOI: 10.7270/Q25Q4WB5 |
More data for this Ligand-Target Pair | |
Enoyl-ACP reductase
(Plasmodium falciparum) | BDBM50329257
(2-Hexadecynoic acid | CHEMBL1269411)Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of London
Curated by ChEMBL
| Assay Description Non-competitive inhibition of Plasmodium falciparum FabI using NADH as cofactor by Michaelis-Menten steady state analysis |
Bioorg Med Chem 18: 7475-85 (2010)
Article DOI: 10.1016/j.bmc.2010.08.055 BindingDB Entry DOI: 10.7270/Q25Q4WB5 |
More data for this Ligand-Target Pair | |
3-oxoacyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50135169
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1 Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
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| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabG in presence of NADPH |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
3-hydroxyacyl-[acyl-carrier-protein] dehydratase
(Plasmodium falciparum) | BDBM50135169
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1 Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
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| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabZ |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
Enoyl-ACP reductase
(Plasmodium falciparum) | BDBM50329257
(2-Hexadecynoic acid | CHEMBL1269411)Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of London
Curated by ChEMBL
| Assay Description Non-competitive inhibition of Plasmodium falciparum FabI using crotonyl-CoA as substrate by Michaelis-Menten steady state analysis |
Bioorg Med Chem 18: 7475-85 (2010)
Article DOI: 10.1016/j.bmc.2010.08.055 BindingDB Entry DOI: 10.7270/Q25Q4WB5 |
More data for this Ligand-Target Pair | |
3-hydroxyacyl-[acyl-carrier-protein] dehydratase
(Plasmodium falciparum) | BDBM50329257
(2-Hexadecynoic acid | CHEMBL1269411)Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of London
Curated by ChEMBL
| Assay Description Competitive inhibition of Plasmodium falciparum FabZ using crotonyl-CoA as substrate by Michaelis-Menten steady state analysis |
Bioorg Med Chem 18: 7475-85 (2010)
Article DOI: 10.1016/j.bmc.2010.08.055 BindingDB Entry DOI: 10.7270/Q25Q4WB5 |
More data for this Ligand-Target Pair | |
3-oxoacyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50329257
(2-Hexadecynoic acid | CHEMBL1269411)Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of London
Curated by ChEMBL
| Assay Description Non-competitive inhibition of Plasmodium falciparum FabG using NADH as cofactor by Michaelis-Menten steady state analysis |
Bioorg Med Chem 18: 7475-85 (2010)
Article DOI: 10.1016/j.bmc.2010.08.055 BindingDB Entry DOI: 10.7270/Q25Q4WB5 |
More data for this Ligand-Target Pair | |
3-oxoacyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50135169
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1 Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabG in presence of acetoacetyl-CoA |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
3-hydroxyacyl-[acyl-carrier-protein] dehydratase
(Plasmodium falciparum) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB MMDB
KEGG
UniProtKB/TrEMBL
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| Article PubMed
| 1.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabZ |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
3-oxoacyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50329257
(2-Hexadecynoic acid | CHEMBL1269411)Show InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-14H2,1H3,(H,18,19) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
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| Article PubMed
| 1.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of London
Curated by ChEMBL
| Assay Description Competitive inhibition of Plasmodium falciparum FabG using acetoacetyl-CoA as substrate by Michaelis-Menten steady state analysis |
Bioorg Med Chem 18: 7475-85 (2010)
Article DOI: 10.1016/j.bmc.2010.08.055 BindingDB Entry DOI: 10.7270/Q25Q4WB5 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50059889
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Inhibition of MEK1 phosphorylation by activated human recombinant Raf |
J Med Chem 45: 529-32 (2002)
BindingDB Entry DOI: 10.7270/Q2FQ9XCD |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50059889
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL KEGG PC cid PC sid UniChem
Patents
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| PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1 |
J Med Chem 45: 529-32 (2002)
BindingDB Entry DOI: 10.7270/Q2FQ9XCD |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | 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/SwissProt
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Patents
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| DrugBank PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of London
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli FabI using 2-dodecenoyl-CoA as substrate at pH 8 |
J Nat Prod 76: 1064-70 (2013)
Article DOI: 10.1021/np400083k BindingDB Entry DOI: 10.7270/Q2S75K77 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50108776
(4-(2-Amino-5-oxo-3,5-dihydro-imidazol-4-ylidene)-2...)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:3.3,t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1 |
J Med Chem 45: 529-32 (2002)
BindingDB Entry DOI: 10.7270/Q2FQ9XCD |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM7491
((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Patents
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| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1 |
J Med Chem 45: 529-32 (2002)
BindingDB Entry DOI: 10.7270/Q2FQ9XCD |
More data for this Ligand-Target Pair | |
Enoyl-acyl carrier 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
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| MMDB PDB Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Bombay College of Pharmacy
| Assay Description Inhibition assay using pfENR. |
Chem Biol Drug Des 81: 715-29 (2013)
Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50153015
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabI |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50070942
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabI |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50135169
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1 Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabI |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
3-oxoacyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50070942
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabG |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabI |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
3-hydroxyacyl-[acyl-carrier-protein] dehydratase
(Plasmodium falciparum) | BDBM50153015
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabZ |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
3-hydroxyacyl-[acyl-carrier-protein] dehydratase
(Plasmodium falciparum) | BDBM50070942
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabZ |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
3-hydroxyacyl-[acyl-carrier-protein] dehydratase
(Plasmodium falciparum) | BDBM50135169
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1 Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabZ |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50236531
((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabI |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50108774
(2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,...)Show InChI InChI=1S/C8H7BrN2O2/c9-6-3-4-5(12)1-2-10-8(13)7(4)11-6/h3,11H,1-2H2,(H,10,13) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 539 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1 |
J Med Chem 45: 529-32 (2002)
BindingDB Entry DOI: 10.7270/Q2FQ9XCD |
More data for this Ligand-Target Pair | |
3-hydroxyacyl-[acyl-carrier-protein] dehydratase
(Plasmodium falciparum) | BDBM50236531
((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
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CHEMBL MCE PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabZ |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50363645
(DEBROMOHYMENIALDISINE)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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PC cid PC sid PDB UniChem
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| n/a | n/a | 824 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1 |
J Med Chem 45: 529-32 (2002)
BindingDB Entry DOI: 10.7270/Q2FQ9XCD |
More data for this Ligand-Target Pair | |
3-oxoacyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50135169
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1 Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabG |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM7457
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H | PDB MMDB
UniProtKB/TrEMBL
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabI |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
3-oxoacyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50153015
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
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CHEMBL MCE PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabG |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
3-oxoacyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50236531
((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
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CHEMBL MCE PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabG |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM59117
(CHEMBL151430 | Hymenialdisine, 11b)Show InChI InChI=1S/C11H11Br2N5O/c12-7-6-4(5-3-16-11(14)17-5)1-2-15-10(19)8(6)18-9(7)13/h3-4,18H,1-2H2,(H,15,19)(H3,14,16,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1 |
J Med Chem 45: 529-32 (2002)
BindingDB Entry DOI: 10.7270/Q2FQ9XCD |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB MMDB
UniProtKB/TrEMBL
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Patents
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| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabI |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
3-hydroxyacyl-[acyl-carrier-protein] dehydratase
(Plasmodium falciparum) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB MMDB
KEGG
UniProtKB/TrEMBL
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Patents
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabZ |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB MMDB
UniProtKB/TrEMBL
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabI |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
3-hydroxyacyl-[acyl-carrier-protein] dehydratase
(Plasmodium falciparum) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB MMDB
KEGG
UniProtKB/TrEMBL
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabZ |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
3-hydroxyacyl-[acyl-carrier-protein] dehydratase
(Plasmodium falciparum) | BDBM7457
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H | PDB MMDB
KEGG
UniProtKB/TrEMBL
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabZ |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
3-oxoacyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM26658
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of FabG |
J Med Chem 49: 3345-53 (2006)
Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM59117
(CHEMBL151430 | Hymenialdisine, 11b)Show InChI InChI=1S/C11H11Br2N5O/c12-7-6-4(5-3-16-11(14)17-5)1-2-15-10(19)8(6)18-9(7)13/h3-4,18H,1-2H2,(H,15,19)(H3,14,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Inhibition of MEK1 phosphorylation by activated human recombinant Raf |
J Med Chem 45: 529-32 (2002)
BindingDB Entry DOI: 10.7270/Q2FQ9XCD |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50108776
(4-(2-Amino-5-oxo-3,5-dihydro-imidazol-4-ylidene)-2...)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:3.3,t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Inhibition of MEK1 phosphorylation by activated human recombinant Raf |
J Med Chem 45: 529-32 (2002)
BindingDB Entry DOI: 10.7270/Q2FQ9XCD |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50108773
(4,5-Dibromo-1H-pyrrole-2-carboxylic acid amide | 4...)Show InChI InChI=1S/C5H4Br2N2O/c6-2-1-3(5(8)10)9-4(2)7/h1,9H,(H2,8,10) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1 |
J Med Chem 45: 529-32 (2002)
BindingDB Entry DOI: 10.7270/Q2FQ9XCD |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50108773
(4,5-Dibromo-1H-pyrrole-2-carboxylic acid amide | 4...)Show InChI InChI=1S/C5H4Br2N2O/c6-2-1-3(5(8)10)9-4(2)7/h1,9H,(H2,8,10) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Inhibition of MEK1 phosphorylation by activated human recombinant Raf |
J Med Chem 45: 529-32 (2002)
BindingDB Entry DOI: 10.7270/Q2FQ9XCD |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50108774
(2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,...)Show InChI InChI=1S/C8H7BrN2O2/c9-6-3-4-5(12)1-2-10-8(13)7(4)11-6/h3,11H,1-2H2,(H,10,13) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description Inhibition of MEK1 phosphorylation by activated human recombinant Raf |
J Med Chem 45: 529-32 (2002)
BindingDB Entry DOI: 10.7270/Q2FQ9XCD |
More data for this Ligand-Target Pair | |