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BDBM50047346 CHEMBL3314589

SMILES: CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1ccccn1

InChI Key: InChIKey=BBXARSODFBVAFV-VEZULTJBNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50047346   
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
Toxin ParE


(Escherichia coli)
BDBM50047346
PNG
(CHEMBL3314589)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1ccccn1 |r|
Show InChI InChI=1/C21H21Cl2N5O4S/c1-10-14(22)15(23)17(25-10)19(29)26-11-6-8-28(9-13(11)32-2)21-27-16(18(33-21)20(30)31)12-5-3-4-7-24-12/h3-5,7,11,13,25H,6,8-9H2,1-2H3,(H,26,29)(H,30,31)/t11-,13+/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


J Med Chem 57: 6060-82 (2014)


Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50047346
PNG
(CHEMBL3314589)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1ccccn1 |r|
Show InChI InChI=1/C21H21Cl2N5O4S/c1-10-14(22)15(23)17(25-10)19(29)26-11-6-8-28(9-13(11)32-2)21-27-16(18(33-21)20(30)31)12-5-3-4-7-24-12/h3-5,7,11,13,25H,6,8-9H2,1-2H3,(H,26,29)(H,30,31)/t11-,13+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<9.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Staphylococcus aureus GyrB


J Med Chem 57: 6060-82 (2014)


Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1
More data for this
Ligand-Target Pair