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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cell division protein FtsZ' and Ligand = 'BDBM50201769'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cell division protein FtsZ


(Staphylococcus aureus)
BDBM50201769
PNG
(CHEMBL3416823)
Show SMILES [H][C@@]12CCN(C[C@@H]1c1cc(nc(n1)-c1ccncc1)C(CC)CC)[C@@H](CN)C2 |r|
Show InChI InChI=1S/C22H31N5/c1-3-15(4-2)20-12-21(26-22(25-20)16-5-8-24-9-6-16)19-14-27-10-7-17(19)11-18(27)13-23/h5-6,8-9,12,15,17-19H,3-4,7,10-11,13-14,23H2,1-2H3/t17-,18+,19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 3.75E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cell division protein FtsZ


(Staphylococcus aureus)
BDBM50201769
PNG
(CHEMBL3416823)
Show SMILES [H][C@@]12CCN(C[C@@H]1c1cc(nc(n1)-c1ccncc1)C(CC)CC)[C@@H](CN)C2 |r|
Show InChI InChI=1S/C22H31N5/c1-3-15(4-2)20-12-21(26-22(25-20)16-5-8-24-9-6-16)19-14-27-10-7-17(19)11-18(27)13-23/h5-6,8-9,12,15,17-19H,3-4,7,10-11,13-14,23H2,1-2H3/t17-,18+,19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.75E+4n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 N-terminal His6-tagged FtsZ GTPase activity expressed in Escherichia coli BL21(DE3) assessed as reduct...


Bioorg Med Chem 24: 6354-6369 (2016)


Article DOI: 10.1016/j.bmc.2016.05.003
BindingDB Entry DOI: 10.7270/Q2SN0BZ0
More data for this
Ligand-Target Pair