Found 9 hits with Last Name = 'gundasw' and Initial = 'sk' 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 |
|---|
4,4'-diapophytoene synthase
(Staphylococcus aureus) | BDBM50460685
(CHEMBL4227773)Show SMILES CCOC(=O)c1c(N2CCN(CC2)c2ccc(F)cc2)c2ccccc2n(C)c1=O Show InChI InChI=1S/C23H24FN3O3/c1-3-30-23(29)20-21(18-6-4-5-7-19(18)25(2)22(20)28)27-14-12-26(13-15-27)17-10-8-16(24)9-11-17/h4-11H,3,12-15H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus dehydrosqualene synthase |
Bioorg Med Chem Lett 28: 1166-1170 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.007
BindingDB Entry DOI: 10.7270/Q2M32ZDZ |
More data for this
Ligand-Target Pair | |
4,4'-diapophytoene synthase
(Staphylococcus aureus) | BDBM50460683
(CHEMBL4227441)Show SMILES CCOC(=O)c1c(N2CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2n(C)c1=O Show InChI InChI=1S/C22H29N3O5/c1-6-29-20(27)17-18(15-9-7-8-10-16(15)23(5)19(17)26)24-11-13-25(14-12-24)21(28)30-22(2,3)4/h7-10H,6,11-14H2,1-5H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus dehydrosqualene synthase |
Bioorg Med Chem Lett 28: 1166-1170 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.007
BindingDB Entry DOI: 10.7270/Q2M32ZDZ |
More data for this
Ligand-Target Pair | |
4,4'-diapophytoene synthase
(Staphylococcus aureus) | BDBM50460686
(CHEMBL4228799)Show SMILES CCOC(=O)c1c(N2CCN(CC2)c2ccc(F)cc2)c2ccccc2n(CC)c1=O Show InChI InChI=1S/C24H26FN3O3/c1-3-28-20-8-6-5-7-19(20)22(21(23(28)29)24(30)31-4-2)27-15-13-26(14-16-27)18-11-9-17(25)10-12-18/h5-12H,3-4,13-16H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus dehydrosqualene synthase |
Bioorg Med Chem Lett 28: 1166-1170 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.007
BindingDB Entry DOI: 10.7270/Q2M32ZDZ |
More data for this
Ligand-Target Pair | |
4,4'-diapophytoene synthase
(Staphylococcus aureus) | BDBM50460684
(CHEMBL4227311)Show SMILES CCOC(=O)c1c(N2CCN(CC2)c2ccccc2F)c2ccccc2n(C)c1=O Show InChI InChI=1S/C23H24FN3O3/c1-3-30-23(29)20-21(16-8-4-6-10-18(16)25(2)22(20)28)27-14-12-26(13-15-27)19-11-7-5-9-17(19)24/h4-11H,3,12-15H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus dehydrosqualene synthase |
Bioorg Med Chem Lett 28: 1166-1170 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.007
BindingDB Entry DOI: 10.7270/Q2M32ZDZ |
More data for this
Ligand-Target Pair | |
4,4'-diapophytoene synthase
(Staphylococcus aureus) | BDBM50460688
(CHEMBL4227334)Show SMILES CCOC(=O)c1c(N2CCN(CC2)c2ccccc2F)c2ccccc2n(CC)c1=O Show InChI InChI=1S/C24H26FN3O3/c1-3-28-19-11-7-5-9-17(19)22(21(23(28)29)24(30)31-4-2)27-15-13-26(14-16-27)20-12-8-6-10-18(20)25/h5-12H,3-4,13-16H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus dehydrosqualene synthase |
Bioorg Med Chem Lett 28: 1166-1170 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.007
BindingDB Entry DOI: 10.7270/Q2M32ZDZ |
More data for this
Ligand-Target Pair | |
4,4'-diapophytoene synthase
(Staphylococcus aureus) | BDBM50460687
(CHEMBL4228225)Show SMILES CCOC(=O)c1c(N2CCN(CC2)c2ccccc2OC)c2ccccc2n(CC)c1=O Show InChI InChI=1S/C25H29N3O4/c1-4-28-19-11-7-6-10-18(19)23(22(24(28)29)25(30)32-5-2)27-16-14-26(15-17-27)20-12-8-9-13-21(20)31-3/h6-13H,4-5,14-17H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus dehydrosqualene synthase |
Bioorg Med Chem Lett 28: 1166-1170 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.007
BindingDB Entry DOI: 10.7270/Q2M32ZDZ |
More data for this
Ligand-Target Pair | |
4,4'-diapophytoene synthase
(Staphylococcus aureus) | BDBM50460689
(CHEMBL4227553)Show SMILES CCOC(=O)c1c(N2CCN(CC2)c2cccc(OC)c2)c2ccccc2n(CC)c1=O Show InChI InChI=1S/C25H29N3O4/c1-4-28-21-12-7-6-11-20(21)23(22(24(28)29)25(30)32-5-2)27-15-13-26(14-16-27)18-9-8-10-19(17-18)31-3/h6-12,17H,4-5,13-16H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus dehydrosqualene synthase |
Bioorg Med Chem Lett 28: 1166-1170 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.007
BindingDB Entry DOI: 10.7270/Q2M32ZDZ |
More data for this
Ligand-Target Pair | |
4,4'-diapophytoene synthase
(Staphylococcus aureus) | BDBM50460691
(CHEMBL4228885)Show SMILES CCOC(=O)c1c(N2CCN(CC2)c2ccccc2OC)c2ccccc2n(C)c1=O Show InChI InChI=1S/C24H27N3O4/c1-4-31-24(29)21-22(17-9-5-6-10-18(17)25(2)23(21)28)27-15-13-26(14-16-27)19-11-7-8-12-20(19)30-3/h5-12H,4,13-16H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus dehydrosqualene synthase |
Bioorg Med Chem Lett 28: 1166-1170 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.007
BindingDB Entry DOI: 10.7270/Q2M32ZDZ |
More data for this
Ligand-Target Pair | |
4,4'-diapophytoene synthase
(Staphylococcus aureus) | BDBM50460690
(CHEMBL4228561)Show SMILES CCOC(=O)c1c(N2CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2n(CC)c1=O Show InChI InChI=1S/C23H31N3O5/c1-6-26-17-11-9-8-10-16(17)19(18(20(26)27)21(28)30-7-2)24-12-14-25(15-13-24)22(29)31-23(3,4)5/h8-11H,6-7,12-15H2,1-5H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus dehydrosqualene synthase |
Bioorg Med Chem Lett 28: 1166-1170 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.007
BindingDB Entry DOI: 10.7270/Q2M32ZDZ |
More data for this
Ligand-Target Pair | |
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