Found 7 hits of Enzyme Inhibition Constant Data 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 |
|---|
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50388063
(CHEMBL2059468)Show SMILES Cc1cc(N=NCc2ccc(cc2)[N+]([O-])=O)c2cc3OCOc3cc2n1 |w:4.3| Show InChI InChI=1S/C18H14N4O4/c1-11-6-16(14-7-17-18(26-10-25-17)8-15(14)20-11)21-19-9-12-2-4-13(5-3-12)22(23)24/h2-8H,9-10H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
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 |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 by fluorimetric assay |
Bioorg Med Chem Lett 22: 5317-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.023
BindingDB Entry DOI: 10.7270/Q2SF2X79 |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50388064
(CHEMBL1237284 | TCMDC-123970)Show SMILES COc1ccc2nc(C)cc(N=NCc3ccc(cc3)[N+]([O-])=O)c2c1 |w:11.10| Show InChI InChI=1S/C18H16N4O3/c1-12-9-18(16-10-15(25-2)7-8-17(16)20-12)21-19-11-13-3-5-14(6-4-13)22(23)24/h3-10H,11H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
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 |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 by fluorimetric assay |
Bioorg Med Chem Lett 22: 5317-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.023
BindingDB Entry DOI: 10.7270/Q2SF2X79 |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50388061
(CHEMBL2057540)Show SMILES Cc1cc(N=NCc2ccccc2[N+]([O-])=O)c2cc3OCOc3cc2n1 |w:4.3| Show InChI InChI=1S/C18H14N4O4/c1-11-6-15(13-7-17-18(26-10-25-17)8-14(13)20-11)21-19-9-12-4-2-3-5-16(12)22(23)24/h2-8H,9-10H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 by fluorimetric assay |
Bioorg Med Chem Lett 22: 5317-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.023
BindingDB Entry DOI: 10.7270/Q2SF2X79 |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50388062
(CHEMBL2059472)Show SMILES Cc1cc(N=NCc2ccc(cc2)C#N)c2cc3OCOc3cc2n1 |w:4.3| Show InChI InChI=1S/C19H14N4O2/c1-12-6-17(23-21-10-14-4-2-13(9-20)3-5-14)15-7-18-19(25-11-24-18)8-16(15)22-12/h2-8H,10-11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 by fluorimetric assay |
Bioorg Med Chem Lett 22: 5317-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.023
BindingDB Entry DOI: 10.7270/Q2SF2X79 |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50388066
(CHEMBL2059464)Show SMILES [O-][N+](=O)c1ccc(CN=Nc2c3CCCCc3nc3ccccc23)cc1 |w:9.9| Show InChI InChI=1S/C20H18N4O2/c25-24(26)15-11-9-14(10-12-15)13-21-23-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-12H,2,4,6,8,13H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 by fluorimetric assay |
Bioorg Med Chem Lett 22: 5317-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.023
BindingDB Entry DOI: 10.7270/Q2SF2X79 |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50388067
(CHEMBL2059462)Show SMILES [O-][N+](=O)c1ccc(CN=Nc2nc3ccccc3[nH]2)cc1 |w:9.9| Show InChI InChI=1S/C14H11N5O2/c20-19(21)11-7-5-10(6-8-11)9-15-18-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 by fluorimetric assay |
Bioorg Med Chem Lett 22: 5317-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.023
BindingDB Entry DOI: 10.7270/Q2SF2X79 |
More data for this
Ligand-Target Pair | |
Subtilisin-like protease 1
(Plasmodium falciparum) | BDBM50388065
(CHEMBL1237282 | TCMDC-142139)Show SMILES COc1ccc2nccc(N=NCc3ccc(cc3)[N+]([O-])=O)c2c1 |w:10.9| Show InChI InChI=1S/C17H14N4O3/c1-24-14-6-7-16-15(10-14)17(8-9-18-16)20-19-11-12-2-4-13(5-3-12)21(22)23/h2-10H,11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
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 |
University of Siena
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum SUB1 by fluorimetric assay |
Bioorg Med Chem Lett 22: 5317-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.023
BindingDB Entry DOI: 10.7270/Q2SF2X79 |
More data for this
Ligand-Target Pair | |
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