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Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'costa' and Initial = 'jg'   
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
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM203861
PNG
((5-(acetylamino)-2-[2-(4-isothiocyanato-3-sulfophe...)
Show SMILES CC(=O)Nc1ccc(\C=C\c2ccc(N=C=S)c(c2)S([O-])(=O)=O)c(c1)S([O-])(=O)=O
Show InChI InChI=1S/C17H14N2O7S3/c1-11(20)19-14-6-5-13(16(9-14)28(21,22)23)4-2-12-3-7-15(18-10-27)17(8-12)29(24,25)26/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26)/p-2/b4-2+
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/a7.5n/a



Universidade de Lisboa



Assay Description
In this assay, the complementary single-stranded oligonucleotides at 100 μm were mixed at a 1:1 ratio and annealed in assay buffer (50 mm Tris pH ...


Chem Biol Drug Des 88: 915-925 (2016)


Article DOI: 10.1111/cbdd.12826
BindingDB Entry DOI: 10.7270/Q2Q52NGR
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM203862
PNG
(6-amino-4-hydroxy-5-[(4-nitro-2-sulfophenyl)azo]-2...)
Show SMILES Nc1ccc2cc(cc(O)c2c1\N=N\c1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)S([O-])(=O)=O
Show InChI InChI=1S/C16H12N4O9S2/c17-11-3-1-8-5-10(30(24,25)26)7-13(21)15(8)16(11)19-18-12-4-2-9(20(22)23)6-14(12)31(27,28)29/h1-7,21H,17H2,(H,24,25,26)(H,27,28,29)/p-2/b19-18+
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.76E+3n/an/an/an/a7.5n/a



Universidade de Lisboa



Assay Description
In this assay, the complementary single-stranded oligonucleotides at 100 μm were mixed at a 1:1 ratio and annealed in assay buffer (50 mm Tris pH ...


Chem Biol Drug Des 88: 915-925 (2016)


Article DOI: 10.1111/cbdd.12826
BindingDB Entry DOI: 10.7270/Q2Q52NGR
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM203863
PNG
(6-amino-5-[(4-amino-2-sulfophenyl)azo]-4-hydroxy-2...)
Show SMILES Nc1ccc(\N=N\c2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O)c(c1)S([O-])(=O)=O
Show InChI InChI=1S/C16H14N4O7S2/c17-9-2-4-12(14(6-9)29(25,26)27)19-20-16-11(18)3-1-8-5-10(28(22,23)24)7-13(21)15(8)16/h1-7,21H,17-18H2,(H,22,23,24)(H,25,26,27)/p-2/b20-19+
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.85E+3n/an/an/an/a7.5n/a



Universidade de Lisboa



Assay Description
In this assay, the complementary single-stranded oligonucleotides at 100 μm were mixed at a 1:1 ratio and annealed in assay buffer (50 mm Tris pH ...


Chem Biol Drug Des 88: 915-925 (2016)


Article DOI: 10.1111/cbdd.12826
BindingDB Entry DOI: 10.7270/Q2Q52NGR
More data for this
Ligand-Target Pair