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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein RecA' and Ligand = 'BDBM70248'   
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)
BDBM70248
PNG
(MLS000032734 | N-[4-(1-azepanylsulfonyl)phenyl]-2-...)
Show SMILES O=C(CSC1=NCCS1)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1 |t:4|
Show InChI InChI=1S/C17H23N3O3S3/c21-16(13-25-17-18-9-12-24-17)19-14-5-7-15(8-6-14)26(22,23)20-10-3-1-2-4-11-20/h5-8H,1-4,9-13H2,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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-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)
BDBM70248
PNG
(MLS000032734 | N-[4-(1-azepanylsulfonyl)phenyl]-2-...)
Show SMILES O=C(CSC1=NCCS1)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1 |t:4|
Show InChI InChI=1S/C17H23N3O3S3/c21-16(13-25-17-18-9-12-24-17)19-14-5-7-15(8-6-14)26(22,23)20-10-3-1-2-4-11-20/h5-8H,1-4,9-13H2,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.16E+5n/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