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BDBM50500617 CHEMBL3751882

SMILES: Cc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccc(Cl)cc34)cc2)cc1

InChI Key: InChIKey=DKACDESSEAPFHP-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50500617   
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 B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50500617
PNG
(CHEMBL3751882)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccc(Cl)cc34)cc2)cc1
Show InChI InChI=1S/C27H21ClN4O/c1-17-6-9-20(10-7-17)30-27(33)31-21-13-11-19(12-14-21)29-26-22-4-2-3-5-24(22)32-25-15-8-18(28)16-23(25)26/h2-16H,1H3,(H,29,32)(H2,30,31,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.25E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis


Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair