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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'DNA repair and recombination protein (RadA)' AND taxid = 186497   
Target
(Institution)
LigandTarget
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 repair and recombination protein (RadA)


(Pyrococcus furiosus)
BDBM32212
PNG
(1H-indol-5-ol | cid_16054)
Show SMILES Oc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H
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PubMed
n/an/an/a 2.10E+6n/an/an/an/an/a



University of Cambridge



Assay Description
The thermal-shift denaturation assay was performed on an iCycler iQ Real Time Detection System (BioRad) in 96-well iCycler iQ PCR plates sealed with ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA repair and recombination protein (RadA)


(Pyrococcus furiosus)
BDBM93042
PNG
(Indole, 2)
Show SMILES Cc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3
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n/an/an/a 2.10E+6n/an/an/an/an/a



University of Cambridge



Assay Description
The thermal-shift denaturation assay was performed on an iCycler iQ Real Time Detection System (BioRad) in 96-well iCycler iQ PCR plates sealed with ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA repair and recombination protein (RadA)


(Pyrococcus furiosus)
BDBM93043
PNG
(4-Methylester indole, 4)
Show SMILES CC(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C10H9NO/c1-7(12)8-3-2-4-10-9(8)5-6-11-10/h2-6,11H,1H3
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UniChem
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n/an/an/a 1.30E+6n/an/an/an/an/a



University of Cambridge



Assay Description
The thermal-shift denaturation assay was performed on an iCycler iQ Real Time Detection System (BioRad) in 96-well iCycler iQ PCR plates sealed with ...


Citation and Details
More data for this
Ligand-Target Pair
DNA repair and recombination protein (RadA)


(Pyrococcus furiosus)
BDBM50159250
PNG
(2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...)
Show SMILES Oc1ccc2ccccc2c1
Show InChI InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
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n/an/an/a 4.60E+5n/an/an/an/an/a



University of Cambridge



Assay Description
The thermal-shift denaturation assay was performed on an iCycler iQ Real Time Detection System (BioRad) in 96-well iCycler iQ PCR plates sealed with ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA repair and recombination protein (RadA)


(Pyrococcus furiosus)
BDBM50335100
PNG
(1,3-benzothiazol-2-amine | 2-Aminobenzothiazole, 6...)
Show SMILES Nc1nc2ccccc2s1
Show InChI InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
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n/an/an/a 7.30E+5n/an/an/an/an/a



University of Cambridge



Assay Description
The thermal-shift denaturation assay was performed on an iCycler iQ Real Time Detection System (BioRad) in 96-well iCycler iQ PCR plates sealed with ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA repair and recombination protein (RadA)


(Pyrococcus furiosus)
BDBM93044
PNG
(L-Methyl ester tryptophan, 8)
Show SMILES COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H14N2O2/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-5,7,10,14H,6,13H2,1H3/t10-/m0/s1
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n/an/an/a 5.70E+5n/an/an/an/an/a



University of Cambridge



Assay Description
The thermal-shift denaturation assay was performed on an iCycler iQ Real Time Detection System (BioRad) in 96-well iCycler iQ PCR plates sealed with ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA repair and recombination protein (RadA)


(Pyrococcus furiosus)
BDBM23450
PNG
(1-Naphthalenol | 1-Naphthol | CHEMBL122617 | Napht...)
Show SMILES Oc1cccc2ccccc12
Show InChI InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
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PubMed
n/an/an/a 4.30E+5n/an/an/an/an/a



University of Cambridge



Assay Description
The thermal-shift denaturation assay was performed on an iCycler iQ Real Time Detection System (BioRad) in 96-well iCycler iQ PCR plates sealed with ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA repair and recombination protein (RadA)


(Pyrococcus furiosus)
BDBM24627
PNG
(1H-indazole | Indazole, 5 | Indazole, 6)
Show SMILES c1n[nH]c2ccccc12
Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)
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PubMed
n/an/an/a 1.00E+6n/an/an/an/an/a



University of Cambridge



Assay Description
The thermal-shift denaturation assay was performed on an iCycler iQ Real Time Detection System (BioRad) in 96-well iCycler iQ PCR plates sealed with ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)