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SMILES: Clc1ccc(COc2ccc(\C=C\c3cc([nH]n3)C3CCNCC3)cc2)cc1Cl

InChI Key: InChIKey=JIYGFUOFCCDVIL-ORCRQEGFSA-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 2 hits for monomerid = 50475386   
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
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50475386
PNG
(CHEMBL194702)
Show SMILES Clc1ccc(COc2ccc(\C=C\c3cc([nH]n3)C3CCNCC3)cc2)cc1Cl
Show InChI InChI=1S/C23H23Cl2N3O/c24-21-8-4-17(13-22(21)25)15-29-20-6-2-16(3-7-20)1-5-19-14-23(28-27-19)18-9-11-26-12-10-18/h1-8,13-14,18,26H,9-12,15H2,(H,27,28)/b5-1+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.26E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against supercoiling activity of DNA gyrase isolated from Escherichia coli


Bioorg Med Chem Lett 15: 4299-303 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.103
BindingDB Entry DOI: 10.7270/Q2RJ4N7G
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Escherichia coli (strain K12))
BDBM50475386
PNG
(CHEMBL194702)
Show SMILES Clc1ccc(COc2ccc(\C=C\c3cc([nH]n3)C3CCNCC3)cc2)cc1Cl
Show InChI InChI=1S/C23H23Cl2N3O/c24-21-8-4-17(13-22(21)25)15-29-20-6-2-16(3-7-20)1-5-19-14-23(28-27-19)18-9-11-26-12-10-18/h1-8,13-14,18,26H,9-12,15H2,(H,27,28)/b5-1+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.53E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against decatenation of DNA topoisomerase IV isolated from Escherichia coli


Bioorg Med Chem Lett 15: 4299-303 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.103
BindingDB Entry DOI: 10.7270/Q2RJ4N7G
More data for this
Ligand-Target Pair