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BDBM50047345 CHEMBL3314588

SMILES: CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1cncc(NCCN2CCN(C)CC2)n1

InChI Key: InChIKey=OZKUQOZGHQRJHO-PWQNQZOANA-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 = 50047345   
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)
BDBM50047345
PNG
(CHEMBL3314588)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1cncc(NCCN2CCN(C)CC2)n1 |r|
Show InChI InChI=1/C27H35Cl2N9O4S/c1-15-20(28)21(29)23(32-15)25(39)34-16-4-6-38(14-18(16)42-3)27-35-22(24(43-27)26(40)41)17-12-30-13-19(33-17)31-5-7-37-10-8-36(2)9-11-37/h12-13,16,18,32H,4-11,14H2,1-3H3,(H,31,33)(H,34,39)(H,40,41)/t16-,18+/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/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)
BDBM50047345
PNG
(CHEMBL3314588)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1cncc(NCCN2CCN(C)CC2)n1 |r|
Show InChI InChI=1/C27H35Cl2N9O4S/c1-15-20(28)21(29)23(32-15)25(39)34-16-4-6-38(14-18(16)42-3)27-35-22(24(43-27)26(40)41)17-12-30-13-19(33-17)31-5-7-37-10-8-36(2)9-11-37/h12-13,16,18,32H,4-11,14H2,1-3H3,(H,31,33)(H,34,39)(H,40,41)/t16-,18+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/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