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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein RecA' and Ligand = 'BDBM70428'   
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)
BDBM70428
PNG
(3-chloranyl-1-(2,5-dimethoxyphenyl)-4-morpholin-4-...)
Show SMILES COc1ccc(OC)c(c1)N1C(=O)C(Cl)=C(N2CCOCC2)C1=O |t:15|
Show InChI InChI=1S/C16H17ClN2O5/c1-22-10-3-4-12(23-2)11(9-10)19-15(20)13(17)14(16(19)21)18-5-7-24-8-6-18/h3-4,9H,5-8H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.63E+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)
BDBM70428
PNG
(3-chloranyl-1-(2,5-dimethoxyphenyl)-4-morpholin-4-...)
Show SMILES COc1ccc(OC)c(c1)N1C(=O)C(Cl)=C(N2CCOCC2)C1=O |t:15|
Show InChI InChI=1S/C16H17ClN2O5/c1-22-10-3-4-12(23-2)11(9-10)19-15(20)13(17)14(16(19)21)18-5-7-24-8-6-18/h3-4,9H,5-8H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.33E+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