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Compile Data Set for Download or QSAR

Found 2 hits of kd data for polymerid = 50007875   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histidine protein kinase SaeS


(Staphylococcus aureus (strain NCTC 8325))		BDBM50468034
PNG
(CHEMBL4286992)
Show SMILES CC(=C)C(O)CC\C(C)=C\Cc1c(O)ccc(C(=O)CC(O)c2ccc(O)cc2)c1O
Show InChI InChI=1S/C25H30O6/c1-15(2)21(27)12-5-16(3)4-10-19-22(28)13-11-20(25(19)31)24(30)14-23(29)17-6-8-18(26)9-7-17/h4,6-9,11,13,21,23,26-29,31H,1,5,10,12,14H2,2-3H3/b16-4+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.80E+3n/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus SaeS kinase domain after 15 mins by fluorescence spectrophotometry

J Med Chem 61: 10473-10487 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01012
BindingDB Entry DOI: 10.7270/Q20P12PP
More data for this
Ligand-Target Pair
Histidine protein kinase SaeS


(Staphylococcus aureus (strain NCTC 8325))		BDBM76798
PNG
((E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethy...)
Show SMILES CC(=C)C(O)CC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O
Show InChI InChI=1S/C25H28O5/c1-16(2)22(27)13-5-17(3)4-11-20-24(29)15-12-21(25(20)30)23(28)14-8-18-6-9-19(26)10-7-18/h4,6-10,12,14-15,22,26-27,29-30H,1,5,11,13H2,2-3H3/b14-8+,17-4+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 4.00E+4n/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus SaeS kinase domain after 15 mins by fluorescence spectrophotometry

J Med Chem 61: 10473-10487 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01012
BindingDB Entry DOI: 10.7270/Q20P12PP
More data for this
Ligand-Target Pair