Found 3 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 |
|---|
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50226181
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 | PDB
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UniProtKB/SwissProt
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DrugBank
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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 22: 7127-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.071
BindingDB Entry DOI: 10.7270/Q2NP2793 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50406470
(Kibdelomycin)Show SMILES [H][C@@]1(C[C@@](O)([C@H](C)NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](O)[C@@H](C)O1)O[C@@H]1CCC(=C)[C@]2([H])C([C@@H](C)C=C[C@@]12[H])C(\O)=C1/C(=O)[C@H](C(C)C)N([C@H]2O[C@H](C)[C@H](OC(N)=O)[C@H](OC(C)=O)[C@@H]2OC)C1=O |r,c:36| Show InChI InChI=1S/C20H20N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,7,9,14,22H,5-6,8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,23,25,26,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 22: 7127-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.071
BindingDB Entry DOI: 10.7270/Q2NP2793 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50486087
(Kibdelomycin A)Show SMILES [H][C@@]1(C[C@@](O)([C@H](C)NC(=O)c2[nH]cc(Cl)c2Cl)[C@H](O)[C@@H](C)O1)O[C@@H]1CCC(=C)[C@]2([H])C([C@@H](C)C=C[C@@]12[H])C(\O)=C1/C(=O)[C@H](C(C)C)N([C@H]2O[C@H](C)[C@H](OC(N)=O)[C@H](OC(C)=O)[C@@H]2OC)C1=O |r,c:35| Show InChI InChI=1S/C43H58Cl2N4O14/c1-16(2)32-34(52)29(40(55)49(32)41-37(58-9)36(61-22(8)50)35(19(5)60-41)63-42(46)56)33(51)28-18(4)10-12-23-25(13-11-17(3)27(23)28)62-26-14-43(57,38(53)20(6)59-26)21(7)48-39(54)31-30(45)24(44)15-47-31/h10,12,15-16,18-21,23,25-28,32,35-38,41,47,51,53,57H,3,11,13-14H2,1-2,4-9H3,(H2,46,56)(H,48,54)/b33-29-/t18-,19+,20+,21-,23-,25+,26-,27-,28?,32-,35-,36-,37-,38+,41-,43+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 22: 7127-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.071
BindingDB Entry DOI: 10.7270/Q2NP2793 |
More data for this
Ligand-Target Pair | |
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