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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein RecA' and Ligand = 'BDBM34637'   
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
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM34637
PNG
((4-methoxyphenyl)-(1-oxidospiro[benzimidazol-1-ium...)
Show SMILES COc1ccc(Nc2ccc3=[N+]([O-])C4(CCCCC4)N=c3c2)cc1 |c:10,20|
Show InChI InChI=1S/C19H21N3O2/c1-24-16-8-5-14(6-9-16)20-15-7-10-18-17(13-15)21-19(22(18)23)11-3-2-4-12-19/h5-10,13,20H,2-4,11-12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.39E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM34637
PNG
((4-methoxyphenyl)-(1-oxidospiro[benzimidazol-1-ium...)
Show SMILES COc1ccc(Nc2ccc3=[N+]([O-])C4(CCCCC4)N=c3c2)cc1 |c:10,20|
Show InChI InChI=1S/C19H21N3O2/c1-24-16-8-5-14(6-9-16)20-15-7-10-18-17(13-15)21-19(22(18)23)11-3-2-4-12-19/h5-10,13,20H,2-4,11-12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.01E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair