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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA-directed RNA polymerase subunit beta' and Ligand = 'BDBM228835'   
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
DNA-directed RNA polymerase subunit beta


(Escherichia coli)
BDBM228835
PNG
(MRL-436)
Show SMILES CC(C)Cc1nnc2c(cccn12)C(=O)NC1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C24H22N4O/c1-15(2)14-21-26-27-23-20(12-7-13-28(21)23)24(29)25-22-18-10-5-3-8-16(18)17-9-4-6-11-19(17)22/h3-13,15,22H,14H2,1-2H3,(H,25,29)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/a37



Merck & Co., Inc.



Assay Description
Fluorescence-detected RNAP inhibition assays in Tables 1 and 4 were performed using a DNA fragment containing the lacUV5 promoter as a template and t...


ACS Chem Biol 12: 1346-1352 (2017)


Article DOI: 10.1021/acschembio.6b01133
BindingDB Entry DOI: 10.7270/Q2VM4B41
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)
BDBM228835
PNG
(MRL-436)
Show SMILES CC(C)Cc1nnc2c(cccn12)C(=O)NC1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C24H22N4O/c1-15(2)14-21-26-27-23-20(12-7-13-28(21)23)24(29)25-22-18-10-5-3-8-16(18)17-9-4-6-11-19(17)22/h3-13,15,22H,14H2,1-2H3,(H,25,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/a37



Merck & Co., Inc.



Assay Description
Fluorescence-detected RNAP inhibition assays in Tables 1 and 4 were performed using a DNA fragment containing the lacUV5 promoter as a template and t...


ACS Chem Biol 12: 1346-1352 (2017)


Article DOI: 10.1021/acschembio.6b01133
BindingDB Entry DOI: 10.7270/Q2VM4B41
More data for this
Ligand-Target Pair