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SMILES: COc1cc(C\C=C(\Cl)Cc2cc(O)cc(O)c2)c(OC)cc1Cl

InChI Key: InChIKey=MKTUZAYNCRKLDS-YIXHJXPBSA-N

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 6 hits for monomerid = 50439496   
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
Cell division protein FtsZ


(Staphylococcus aureus)
BDBM50439496
PNG
(CHEMBL2418096 | US9169182, J23)
Show SMILES COc1cc(C\C=C(\Cl)Cc2cc(O)cc(O)c2)c(OC)cc1Cl
Show InChI InChI=1S/C18H18Cl2O4/c1-23-17-10-16(20)18(24-2)8-12(17)3-4-13(19)5-11-6-14(21)9-15(22)7-11/h4,6-10,21-22H,3,5H2,1-2H3/b13-4+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of recombinant Staphylococcus aureus FtsZ GTPase activity expressed in Escherichia coli BL21 (DE3) assessed as production of inorganic pho...


Bioorg Med Chem 21: 5673-8 (2013)


Article DOI: 10.1016/j.bmc.2013.07.033
BindingDB Entry DOI: 10.7270/Q2057HC4
More data for this
Ligand-Target Pair
Cell division protein FtsZ


(Bacillus subtilis)
BDBM50439496
PNG
(CHEMBL2418096 | US9169182, J23)
Show SMILES COc1cc(C\C=C(\Cl)Cc2cc(O)cc(O)c2)c(OC)cc1Cl
Show InChI InChI=1S/C18H18Cl2O4/c1-23-17-10-16(20)18(24-2)8-12(17)3-4-13(19)5-11-6-14(21)9-15(22)7-11/h4,6-10,21-22H,3,5H2,1-2H3/b13-4+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis FtsZ GTPase activity assessed as production of inorganic phosphate measured up to 60 mins by malachite green-phosphom...


Bioorg Med Chem 21: 5673-8 (2013)


Article DOI: 10.1016/j.bmc.2013.07.033
BindingDB Entry DOI: 10.7270/Q2057HC4
More data for this
Ligand-Target Pair
Cell division protein FtsZ


(Escherichia coli)
BDBM50439496
PNG
(CHEMBL2418096 | US9169182, J23)
Show SMILES COc1cc(C\C=C(\Cl)Cc2cc(O)cc(O)c2)c(OC)cc1Cl
Show InChI InChI=1S/C18H18Cl2O4/c1-23-17-10-16(20)18(24-2)8-12(17)3-4-13(19)5-11-6-14(21)9-15(22)7-11/h4,6-10,21-22H,3,5H2,1-2H3/b13-4+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FtsZ GTPase activity


Eur J Med Chem 95: 1-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.026
BindingDB Entry DOI: 10.7270/Q2S75J14
More data for this
Ligand-Target Pair
Cell division protein FtsZ


(Escherichia coli)
BDBM50439496
PNG
(CHEMBL2418096 | US9169182, J23)
Show SMILES COc1cc(C\C=C(\Cl)Cc2cc(O)cc(O)c2)c(OC)cc1Cl
Show InChI InChI=1S/C18H18Cl2O4/c1-23-17-10-16(20)18(24-2)8-12(17)3-4-13(19)5-11-6-14(21)9-15(22)7-11/h4,6-10,21-22H,3,5H2,1-2H3/b13-4+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.60E+4n/an/an/an/a6.525



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES; UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION

US Patent


Assay Description
The bacterial cytoskeletal protein FtsZ is a GTPase and has structural homology to the eukaryotic cytoskeletal protein tubulin, but lacks significant...


US Patent US9169182 (2015)


BindingDB Entry DOI: 10.7270/Q22Z149Z
More data for this
Ligand-Target Pair
Cell division protein FtsZ


(Staphylococcus aureus)
BDBM50439496
PNG
(CHEMBL2418096 | US9169182, J23)
Show SMILES COc1cc(C\C=C(\Cl)Cc2cc(O)cc(O)c2)c(OC)cc1Cl
Show InChI InChI=1S/C18H18Cl2O4/c1-23-17-10-16(20)18(24-2)8-12(17)3-4-13(19)5-11-6-14(21)9-15(22)7-11/h4,6-10,21-22H,3,5H2,1-2H3/b13-4+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FtsZ GTPase activity


Eur J Med Chem 95: 1-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.026
BindingDB Entry DOI: 10.7270/Q2S75J14
More data for this
Ligand-Target Pair
Cell division protein FtsZ


(Staphylococcus aureus)
BDBM50439496
PNG
(CHEMBL2418096 | US9169182, J23)
Show SMILES COc1cc(C\C=C(\Cl)Cc2cc(O)cc(O)c2)c(OC)cc1Cl
Show InChI InChI=1S/C18H18Cl2O4/c1-23-17-10-16(20)18(24-2)8-12(17)3-4-13(19)5-11-6-14(21)9-15(22)7-11/h4,6-10,21-22H,3,5H2,1-2H3/b13-4+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.40E+4n/an/an/an/a6.525



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES; UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION

US Patent


Assay Description
The bacterial cytoskeletal protein FtsZ is a GTPase and has structural homology to the eukaryotic cytoskeletal protein tubulin, but lacks significant...


US Patent US9169182 (2015)


BindingDB Entry DOI: 10.7270/Q22Z149Z
More data for this
Ligand-Target Pair