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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein RecA' and Ligand = 'BDBM70261'   
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)
BDBM70261
PNG
(6-Amino-1-(3-chloro-phenyl)-3-methyl-4-pyridin-3-y...)
Show SMILES Cc1nn(c2OC(=N)C(C#N)C(c12)c1cccnc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H14ClN5O/c1-11-16-17(12-4-3-7-23-10-12)15(9-21)18(22)26-19(16)25(24-11)14-6-2-5-13(20)8-14/h2-8,10,15,17,22H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.05E+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)
BDBM70261
PNG
(6-Amino-1-(3-chloro-phenyl)-3-methyl-4-pyridin-3-y...)
Show SMILES Cc1nn(c2OC(=N)C(C#N)C(c12)c1cccnc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H14ClN5O/c1-11-16-17(12-4-3-7-23-10-12)15(9-21)18(22)26-19(16)25(24-11)14-6-2-5-13(20)8-14/h2-8,10,15,17,22H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.13E+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