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PubChem AID 652151

Compile data set for download or QSAR
Found 130 hits of Enzyme Inhibition Constant Data   
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
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96261
PNG
(MLS000778391 | N-(4-Methoxy-[1,2,5]thiadiazol-3-yl...)
Show SMILES COc1nsnc1NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C16H14N6O4S3/c1-26-15-13(20-28-21-15)22-29(24,25)12-4-2-11(3-5-12)18-16(27)19-14(23)10-6-8-17-9-7-10/h2-9H,1H3,(H,20,22)(H2,18,19,23,27)
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n/an/a 1.46E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96280
PNG
(MLS002246639 | N-(3-aminocarbonylthiophen-2-yl)-5-...)
Show SMILES NC(=O)c1ccsc1NC(=O)c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C10H7N3O5S/c11-8(14)5-3-4-19-10(5)12-9(15)6-1-2-7(18-6)13(16)17/h1-4H,(H2,11,14)(H,12,15)
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n/an/a 1.83E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96241
PNG
(MLS000550526 | N-[(E)-(5-nitro-2-furanyl)methylide...)
Show SMILES COC(=O)N[N-][CH+]c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C7H7N3O5/c1-14-7(11)9-8-4-5-2-3-6(15-5)10(12)13/h2-4H,1H3,(H,9,11)
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Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96269
PNG
(5-Nitro-furan-2-carboxylic acid pyridin-3-ylamide ...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C10H7N3O4/c14-10(12-7-2-1-5-11-6-7)8-3-4-9(17-8)13(15)16/h1-6H,(H,12,14)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96258
PNG
(MLS001005783 | N-[(E)-(5-nitro-2-furanyl)methylide...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)C2CC2)o1
Show InChI InChI=1S/C9H9N3O4/c13-9(6-1-2-6)11-10-5-7-3-4-8(16-7)12(14)15/h3-6H,1-2H2,(H,11,13)/b10-5+
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM80999
PNG
(2-(phenylmethyl)-1,2-thiazol-3-one | 2-(phenylmeth...)
Show SMILES O=c1ccsn1Cc1ccccc1
Show InChI InChI=1S/C10H9NOS/c12-10-6-7-13-11(10)8-9-4-2-1-3-5-9/h1-7H,8H2
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM91517
PNG
(5-Nitro-furan-2-carboxylic acid (3-nitro-phenyl)-a...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C11H7N3O6/c15-11(9-4-5-10(20-9)14(18)19)12-7-2-1-3-8(6-7)13(16)17/h1-6H,(H,12,15)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96300
PNG
(1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazino)-N-p...)
Show SMILES CCn1cc(C(=O)NCc2ccc3OCOc3c2)c(=O)c2cc(F)c(cc12)N1CCN(C)CC1
Show InChI InChI=1S/C25H27FN4O4/c1-3-29-14-18(25(32)27-13-16-4-5-22-23(10-16)34-15-33-22)24(31)17-11-19(26)21(12-20(17)29)30-8-6-28(2)7-9-30/h4-5,10-12,14H,3,6-9,13,15H2,1-2H3,(H,27,32)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96263
PNG
(MLS001077224 | N-(3-acetylphenyl)-5-nitro-2-furami...)
Show SMILES CC(=O)c1cccc(NC(=O)c2ccc(o2)[N+]([O-])=O)c1
Show InChI InChI=1S/C13H10N2O5/c1-8(16)9-3-2-4-10(7-9)14-13(17)11-5-6-12(20-11)15(18)19/h2-7H,1H3,(H,14,17)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96271
PNG
(1-ethyl-6-fluoranyl-7-[4-(furan-2-ylcarbonyl)piper...)
Show SMILES CCn1cc(C(=O)NCC=C)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C24H25FN4O4/c1-3-7-26-23(31)17-15-27(4-2)19-14-20(18(25)13-16(19)22(17)30)28-8-10-29(11-9-28)24(32)21-6-5-12-33-21/h3,5-6,12-15H,1,4,7-11H2,2H3,(H,26,31)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM60193
PNG
((2Z)-2-[[1-(4-methoxyphenyl)-2,6-dimethyl-4-pyridi...)
Show SMILES COc1ccc(cc1)-[n+]1c(C)cc(\C=C2/Sc3ccccc3N2C)cc1C
Show InChI InChI=1S/C23H23N2OS/c1-16-13-18(15-23-24(3)21-7-5-6-8-22(21)27-23)14-17(2)25(16)19-9-11-20(26-4)12-10-19/h5-15H,1-4H3/q+1
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96257
PNG
((2E)-3-(5-nitro-2-furyl)acrylic acid | (E)-3-(5-ni...)
Show SMILES OC(=O)\C=C\c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C7H5NO5/c9-7(10)4-2-5-1-3-6(13-5)8(11)12/h1-4H,(H,9,10)/b4-2+
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n/an/a 3.19E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50401346
PNG
(CHEMBL316589 | cid_93149)
Show SMILES Cc1ccnc2c1ccc1cccnc21
Show InChI InChI=1S/C13H10N2/c1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13/h2-8H,1H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96295
PNG
(2-(2-nitro-1-imidazolyl)acetic acid methyl ester |...)
Show SMILES COC(=O)Cn1ccnc1[N+]([O-])=O
Show InChI InChI=1S/C6H7N3O4/c1-13-5(10)4-8-3-2-7-6(8)9(11)12/h2-3H,4H2,1H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96260
PNG
((E)-1-(4-methyl-1-piperazinyl)-3-(5-nitro-2-furany...)
Show SMILES CN1CCN(CC1)C(=O)\C=C\c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C12H15N3O4/c1-13-6-8-14(9-7-13)11(16)4-2-10-3-5-12(19-10)15(17)18/h2-5H,6-9H2,1H3/b4-2+
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96259
PNG
(6-Methyl-nicotinic acid [1-(5-nitro-furan-2-yl)-me...)
Show SMILES Cc1ccc(cn1)C(=O)N\N=C/c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C12H10N4O4/c1-8-2-3-9(6-13-8)12(17)15-14-7-10-4-5-11(20-10)16(18)19/h2-7H,1H3,(H,15,17)/b14-7-
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM80819
PNG
(1-(3-methylphenyl)-3-(1-pyridin-2-ylethylideneamin...)
Show SMILES CC(=NNC(=S)Nc1cccc(C)c1)c1ccccn1
Show InChI InChI=1S/C15H16N4S/c1-11-6-5-7-13(10-11)17-15(20)19-18-12(2)14-8-3-4-9-16-14/h3-10H,1-2H3,(H2,17,19,20)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM72521
PNG
(MLS000722938 | N-(5-bromanylpyridin-2-yl)-5-nitro-...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C10H6BrN3O4/c11-6-1-3-8(12-5-6)13-10(15)7-2-4-9(18-7)14(16)17/h1-5H,(H,12,13,15)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96244
PNG
(5-nitro-N-(6-methylpyridin-2-yl)furan-2-carboxamid...)
Show SMILES Cc1cccc(NC(=O)c2ccc(o2)[N+]([O-])=O)n1
Show InChI InChI=1S/C11H9N3O4/c1-7-3-2-4-9(12-7)13-11(15)8-5-6-10(18-8)14(16)17/h2-6H,1H3,(H,12,13,15)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM49852
PNG
(MLS000707953 | N-(5-chloranylpyridin-2-yl)-5-nitro...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C10H6ClN3O4/c11-6-1-3-8(12-5-6)13-10(15)7-2-4-9(18-7)14(16)17/h1-5H,(H,12,13,15)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM51840
PNG
((2Z)-3-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-ium...)
Show SMILES CCN1\C(Sc2cc(C)c(C)cc12)=C\c1ccc2cc(C)ccc2[n+]1CC
Show InChI InChI=1S/C24H27N2S/c1-6-25-20(10-9-19-12-16(3)8-11-21(19)25)15-24-26(7-2)22-13-17(4)18(5)14-23(22)27-24/h8-15H,6-7H2,1-5H3/q+1
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM33687
PNG
(5-nitro-N-(4-methyl-2-pyridinyl)-2-furamide | MLS0...)
Show SMILES Cc1ccnc(NC(=O)c2ccc(o2)[N+]([O-])=O)c1
Show InChI InChI=1S/C11H9N3O4/c1-7-4-5-12-9(6-7)13-11(15)8-2-3-10(18-8)14(16)17/h2-6H,1H3,(H,12,13,15)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96252
PNG
(MLS000391909 | N-[2-[(2E)-2-[(5-nitro-2-furanyl)me...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)CNC(=O)c2ccccc2)o1
Show InChI InChI=1S/C14H12N4O5/c19-12(9-15-14(20)10-4-2-1-3-5-10)17-16-8-11-6-7-13(23-11)18(21)22/h1-8H,9H2,(H,15,20)(H,17,19)/b16-8+
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM93674
PNG
((E)-(2-methylbenzimidazol-1-yl)-[(5-nitro-2-furyl)...)
Show SMILES Cc1nc2ccccc2n1\N=C\c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C13H10N4O3/c1-9-15-11-4-2-3-5-12(11)16(9)14-8-10-6-7-13(20-10)17(18)19/h2-8H,1H3/b14-8+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96294
PNG
(4-(4-morpholinyl)-7-nitro-3-oxido-2,1,3-benzoxadia...)
Show SMILES [O-][N+](=O)c1c[cH-]c(N2CCOCC2)c2[c+]1[n-]o[n+]2=O
Show InChI InChI=1S/C10H10N4O5/c15-13(16)7-1-2-8(12-3-5-18-6-4-12)10-9(7)11-19-14(10)17/h1-2H,3-6H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96297
PNG
(3-anilino-8-quinolinol;2,2,2-trifluoroacetic acid ...)
Show SMILES Oc1cccc2cc(Nc3ccccc3)cnc12
Show InChI InChI=1S/C15H12N2O/c18-14-8-4-5-11-9-13(10-16-15(11)14)17-12-6-2-1-3-7-12/h1-10,17-18H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96304
PNG
(4H-Imidazo[4,5-d]-v-triazin-4-one, 3,7-dihydro-7-....)
Show SMILES OCC1OC(C(O)C1O)n1cnc2c1nn[nH]c2=O
Show InChI InChI=1S/C9H11N5O5/c15-1-3-5(16)6(17)9(19-3)14-2-10-4-7(14)11-13-12-8(4)18/h2-3,5-6,9,15-17H,1H2,(H,11,12,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM64655
PNG
(1-(3,4-dichlorophenyl)-3-(pyridin-2-ylcarbonylamin...)
Show SMILES Clc1ccc(NC(=S)NNC(=O)c2ccccn2)cc1Cl
Show InChI InChI=1S/C13H10Cl2N4OS/c14-9-5-4-8(7-10(9)15)17-13(21)19-18-12(20)11-3-1-2-6-16-11/h1-7H,(H,18,20)(H2,17,19,21)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96268
PNG
((2S)-2-[(5-ethyl-8-keto-[1,3]dioxolo[4,5-g]quinoli...)
Show SMILES CCn1cc(C(=O)N[C@@H](C(C)C)C(O)=O)c(=O)c2cc3OCOc3cc12
Show InChI InChI=1S/C18H20N2O6/c1-4-20-7-11(17(22)19-15(9(2)3)18(23)24)16(21)10-5-13-14(6-12(10)20)26-8-25-13/h5-7,9,15H,4,8H2,1-3H3,(H,19,22)(H,23,24)/t15-/m0/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM51256
PNG
(4-(4-methyl-1-piperazinyl)-7-nitro-3-oxido-2,1,3-b...)
Show SMILES CN1CCN(CC1)c1[cH-]cc([N+]([O-])=O)[c+]2[n-]o[n+](=O)c12
Show InChI InChI=1S/C11H13N5O4/c1-13-4-6-14(7-5-13)9-3-2-8(15(17)18)10-11(9)16(19)20-12-10/h2-3H,4-7H2,1H3
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM45465
PNG
(1-Ethyl-6-fluoro-7-[4-(furan-2-carbonyl)-piperazin...)
Show SMILES CCn1cc(C(=O)NCc2cccnc2)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C27H26FN5O4/c1-2-31-17-20(26(35)30-16-18-5-3-7-29-15-18)25(34)19-13-21(28)23(14-22(19)31)32-8-10-33(11-9-32)27(36)24-6-4-12-37-24/h3-7,12-15,17H,2,8-11,16H2,1H3,(H,30,35)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96303
PNG
(5-Pyrimidinecarboxylic acid, 5-fluorohexahydro-4-m...)
Show SMILES COC1NC(=O)NC(=O)C1(F)C(=O)OC
Show InChI InChI=1S/C7H9FN2O5/c1-14-4-7(8,5(12)15-2)3(11)9-6(13)10-4/h4H,1-2H3,(H2,9,10,11,13)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50013111
PNG
(1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM31712
PNG
(HEXACHLOROPHENE | MLS000028433 | SMR000058356 | ci...)
Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96262
PNG
(ERYTHROMYCIN ETHYLSUCCINATE | MLS001074901 | SMR00...)
Show SMILES CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C
Show InChI InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96270
PNG
(1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazino)quin...)
Show SMILES CCOC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(F)cc2c1=O
Show InChI InChI=1S/C19H24FN3O3/c1-4-22-12-14(19(25)26-5-2)18(24)13-10-15(20)17(11-16(13)22)23-8-6-21(3)7-9-23/h10-12H,4-9H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50013111
PNG
(1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50018445
PNG
(1-((2R,5S)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)...)
Show SMILES Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM84260
PNG
(MLS000706228 | N-[3-chloranyl-4-(4-ethylpiperazin-...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C17H19ClN4O4/c1-2-20-7-9-21(10-8-20)14-4-3-12(11-13(14)18)19-17(23)15-5-6-16(26-15)22(24)25/h3-6,11H,2,7-10H2,1H3,(H,19,23)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96284
PNG
(6-(5-nitro-2-furanyl)-2H-1,2,4-triazine-3,5-dione ...)
Show SMILES [O-][N+](=O)c1ccc(o1)-c1n[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C7H4N4O5/c12-6-5(9-10-7(13)8-6)3-1-2-4(16-3)11(14)15/h1-2H,(H2,8,10,12,13)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM93629
PNG
(Isonicotinic acid [1-(5-nitro-furan-2-yl)-meth-(E)...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)c2ccncc2)o1
Show InChI InChI=1S/C11H8N4O4/c16-11(8-3-5-12-6-4-8)14-13-7-9-1-2-10(19-9)15(17)18/h1-7H,(H,14,16)/b13-7+
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM65582
PNG
(5-Nitro-furan-2-carboxylic acid (4-methoxy-phenyl)...)
Show SMILES COc1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H10N2O5/c1-18-9-4-2-8(3-5-9)13-12(15)10-6-7-11(19-10)14(16)17/h2-7H,1H3,(H,13,15)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96279
PNG
(2,3,4,5-tetrachlorophenol | 2,3,4,5-tetrakis(chlor...)
Show SMILES Oc1cc(Cl)c(Cl)c(Cl)c1Cl
Show InChI InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96242
PNG
(MLS000551327 | N'-[(4-ketocyclohexa-2,5-dien-1-yli...)
Show SMILES Cc1cc(=O)[nH]c(N=NC(=NNc2ccc(O)cc2)c2ccccc2)n1
Show InChI InChI=1S/C18H16N6O2/c1-12-11-16(26)20-18(19-12)24-23-17(13-5-3-2-4-6-13)22-21-14-7-9-15(25)10-8-14/h2-11,21,25H,1H3,(H,19,20,26)/b22-17+,24-23+
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM90673
PNG
(4-Amino-N-(6-chloro-pyridazin-3-yl)-benzenesulfona...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)nn1
Show InChI InChI=1S/C10H9ClN4O2S/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50132298
PNG
(1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahyd...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1
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n/an/a 6.61E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM80057
PNG
(MLS002607898 | N-[4-(5-nitrofuran-2-yl)sulfanylphe...)
Show SMILES CC(=O)Nc1ccc(Sc2ccc(o2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H10N2O4S/c1-8(15)13-9-2-4-10(5-3-9)19-12-7-6-11(18-12)14(16)17/h2-7H,1H3,(H,13,15)
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n/an/a 6.69E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96266
PNG
(MLS001204199 | N-[(4-Chloro-phenyl)-(8-hydroxy-qui...)
Show SMILES CC(=O)NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C18H15ClN2O2/c1-11(22)21-16(13-4-7-14(19)8-5-13)15-9-6-12-3-2-10-20-17(12)18(15)23/h2-10,16,23H,1H3,(H,21,22)
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n/an/a 6.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50013111
PNG
(1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
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n/an/a 7.25E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96292
PNG
(1-[[4-(3-aminophenyl)pyridin-2-yl]methylideneamino...)
Show SMILES NC(=S)NN=Cc1cc(ccn1)-c1cccc(N)c1
Show InChI InChI=1S/C13H13N5S/c14-11-3-1-2-9(6-11)10-4-5-16-12(7-10)8-17-18-13(15)19/h1-8H,14H2,(H3,15,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50132292
PNG
(5-Ethyl-1-((2R,5R)-4-hydroxy-5-hydroxymethyl-tetra...)
Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1
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n/an/a 7.58E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50027796
PNG
(2-(Sulfanilylamino)thiazole | 2-(p-Aminobenzenesul...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
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n/an/a 7.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96298
PNG
(2-(4-morpholinyl)-N-[(5-nitro-2-furanyl)methyliden...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)CN2CCOCC2)o1
Show InChI InChI=1S/C11H14N4O5/c16-10(8-14-3-5-19-6-4-14)13-12-7-9-1-2-11(20-9)15(17)18/h1-2,7H,3-6,8H2,(H,13,16)/b12-7+
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n/an/a 7.62E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96277
PNG
(5-nitro-N-(3-pyridinyl)-2-thiophenecarboxamide | 5...)
Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C10H7N3O3S/c14-10(12-7-2-1-5-11-6-7)8-3-4-9(17-8)13(15)16/h1-6H,(H,12,14)
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n/an/a 7.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96255
PNG
(4-[[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C20H17N5O3S2/c1-14-18(19(26)25(23-14)16-5-3-2-4-6-16)13-22-15-7-9-17(10-8-15)30(27,28)24-20-21-11-12-29-20/h2-13,23H,1H3,(H,21,24)/b22-13+
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n/an/a 8.47E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM94482
PNG
(4-(4,5-Dimethyl-oxazol-2-ylamino)-benzenesulfonami...)
Show SMILES Cc1nc(Nc2ccc(cc2)S(N)(=O)=O)oc1C
Show InChI InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-9-3-5-10(6-4-9)18(12,15)16/h3-6H,1-2H3,(H,13,14)(H2,12,15,16)
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n/an/a 8.52E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96293
PNG
(1-methyl-6-nitro-4-quinolinone | 1-methyl-6-nitro-...)
Show SMILES Cn1ccc(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C10H8N2O3/c1-11-5-4-10(13)8-6-7(12(14)15)2-3-9(8)11/h2-6H,1H3
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n/an/a 8.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM64691
PNG
(3-bromanyl-N'-[(E)-(8-oxidanylidenequinolin-5-ylid...)
Show SMILES Oc1ccc(C=NNC(=O)c2cccc(Br)c2)c2cccnc12
Show InChI InChI=1S/C17H12BrN3O2/c18-13-4-1-3-11(9-13)17(23)21-20-10-12-6-7-15(22)16-14(12)5-2-8-19-16/h1-10,22H,(H,21,23)
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n/an/a 8.62E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50295558
PNG
(4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenes...)
Show SMILES Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
Show InChI InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)
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n/an/a 8.66E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM80820
PNG
(1-(2-pyridinylmethyl)-3-(2-pyridinylmethylideneami...)
Show SMILES S=C(NCc1ccccn1)NN=Cc1ccccn1
Show InChI InChI=1S/C13H13N5S/c19-13(16-9-11-5-1-3-7-14-11)18-17-10-12-6-2-4-8-15-12/h1-8,10H,9H2,(H2,16,18,19)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96267
PNG
(5-Nitro-furan-2-carboxylic acid (4-acetyl-phenyl)-...)
Show SMILES CC(=O)c1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H10N2O5/c1-8(16)9-2-4-10(5-3-9)14-13(17)11-6-7-12(20-11)15(18)19/h2-7H,1H3,(H,14,17)
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n/an/a 9.07E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96245
PNG
((3Z)-3-(diethylaminohydrazinylidene)-4,6-dimethyl-...)
Show SMILES CCN(CC)N=Nc1[nH]nc2nc(C)cc(C)c12
Show InChI InChI=1S/C12H18N6/c1-5-18(6-2)17-16-12-10-8(3)7-9(4)13-11(10)14-15-12/h7H,5-6H2,1-4H3,(H,13,14,15)/b17-16+
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n/an/a 9.26E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50029770
PNG
(4-amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonam...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
Show InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
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n/an/a 9.43E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96256
PNG
(MLS000713416 | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4...)
Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(cc2)N=Cc2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)s1
Show InChI InChI=1S/C21H18N6O5S2/c1-2-17-24-25-20(33-17)26-34(31,32)15-10-8-13(9-11-15)22-12-16-18(28)23-21(30)27(19(16)29)14-6-4-3-5-7-14/h3-12,29H,2H2,1H3,(H,25,26)(H,23,28,30)/b22-12+
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n/an/a 9.76E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM73586
PNG
(4-[(2,6-diketo-4,4-dimethyl-cyclohexylidene)methyl...)
Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)CC(C)(C)CC3=O)cc2)s1
Show InChI InChI=1S/C19H22N4O4S2/c1-4-17-21-22-18(28-17)23-29(26,27)13-7-5-12(6-8-13)20-11-14-15(24)9-19(2,3)10-16(14)25/h5-8,11,20H,4,9-10H2,1-3H3,(H,22,23)
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n/an/a 1.02E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96247
PNG
(4-[[(Z)-[1-(4-chlorophenyl)-2,4,6-triketo-hexahydr...)
Show SMILES Oc1c(C=Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)c(=O)[nH]c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H14ClN5O5S2/c21-12-1-5-14(6-2-12)26-18(28)16(17(27)24-20(26)29)11-23-13-3-7-15(8-4-13)33(30,31)25-19-22-9-10-32-19/h1-11,28H,(H,22,25)(H,24,27,29)/b23-11+
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n/an/a 1.10E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96246
PNG
((3Z)-3-(dimethylaminohydrazinylidene)-4,6-dimethyl...)
Show SMILES CN(C)N=Nc1[nH]nc2nc(C)cc(C)c12
Show InChI InChI=1S/C10H14N6/c1-6-5-7(2)11-9-8(6)10(13-12-9)14-15-16(3)4/h5H,1-4H3,(H,11,12,13)/b15-14+
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96282
PNG
(4-HYDROXY-6-METHOXY-8-NITRO-3-QUINOLINECARBOXYLIC ...)
Show SMILES CCOC(=O)c1cnc2c(cc(OC)cc2c1O)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O6/c1-3-21-13(17)9-6-14-11-8(12(9)16)4-7(20-2)5-10(11)15(18)19/h4-6H,3H2,1-2H3,(H,14,16)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96275
PNG
(1-methyl-4-(1-methyl-4-pyridin-1-iumyl)pyridin-1-i...)
Show SMILES C[n+]1ccc(cc1)-c1cc[n+](C)cc1
Show InChI InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM34855
PNG
(MLS000699314 | N,N'-bis(5-keto-6-methyl-3-thioxo-2...)
Show SMILES Cc1n[nH]c(=S)n(NC(=O)CC(=O)Nn2c(=S)[nH]nc(C)c2=O)c1=O
Show InChI InChI=1S/C11H12N8O4S2/c1-4-8(22)18(10(24)14-12-4)16-6(20)3-7(21)17-19-9(23)5(2)13-15-11(19)25/h3H2,1-2H3,(H,14,24)(H,15,25)(H,16,20)(H,17,21)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96290
PNG
(2,2,2-trifluoro-N-(4-nitro-6-oxo-5H-phenanthridin-...)
Show SMILES [O-][N+](=O)c1cc(NC(=O)C(F)(F)F)cc2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C15H8F3N3O4/c16-15(17,18)14(23)19-7-5-10-8-3-1-2-4-9(8)13(22)20-12(10)11(6-7)21(24)25/h1-6H,(H,19,23)(H,20,22)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM87296
PNG
(2-(3-nitroanilino)-N-[(E)-(5-nitro-2-furanyl)methy...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)CNc2cccc(c2)[N+]([O-])=O)o1
Show InChI InChI=1S/C13H11N5O6/c19-12(8-14-9-2-1-3-10(6-9)17(20)21)16-15-7-11-4-5-13(24-11)18(22)23/h1-7,14H,8H2,(H,16,19)/b15-7+
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96274
PNG
(5-Aza-2'-deoxycytidine | DECITABINE | MLS00133...)
Show SMILES Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1
Show InChI InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM70499
PNG
(4-nitro-1H-1,2,3-benzotriazole | 4-nitro-2H-benzot...)
Show SMILES [O-][N+](=O)c1cccc2[nH]nnc12
Show InChI InChI=1S/C6H4N4O2/c11-10(12)5-3-1-2-4-6(5)8-9-7-4/h1-3H,(H,7,8,9)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96302
PNG
(2-[2-[(E)-(5-ethoxy-6-oxidanylidene-cyclohexa-2,4-...)
Show SMILES CCOc1cccc(C=NNC(=O)C(=O)Nc2cccc(c2)C(F)(F)F)c1O
Show InChI InChI=1S/C18H16F3N3O4/c1-2-28-14-8-3-5-11(15(14)25)10-22-24-17(27)16(26)23-13-7-4-6-12(9-13)18(19,20)21/h3-10,25H,2H2,1H3,(H,23,26)(H,24,27)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96250
PNG
((4,6-Dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-pipe...)
Show SMILES Cc1cc(C)c2c(N=NN3CCCCC3)[nH]nc2n1
Show InChI InChI=1S/C13H18N6/c1-9-8-10(2)14-12-11(9)13(16-15-12)17-18-19-6-4-3-5-7-19/h8H,3-7H2,1-2H3,(H,14,15,16)/b18-17+
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM77515
PNG
(2-{[(3-phenyl-5-isoxazolyl)methyl]thio}-1H-benzimi...)
Show SMILES C(Sc1nc2ccccc2[nH]1)c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C17H13N3OS/c1-2-6-12(7-3-1)16-10-13(21-20-16)11-22-17-18-14-8-4-5-9-15(14)19-17/h1-10H,11H2,(H,18,19)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM34905
PNG
(1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazi...)
Show SMILES CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C10H13N5O2/c1-4-5-6-11-7-8(15(3)13-6)12-10(17)14(2)9(7)16/h4-5H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96281
PNG
((5-bromo-1,3-benzoxazol-2-yl)amine | 2-Benzoxazola...)
Show SMILES Nc1nc2cc(Br)ccc2o1
Show InChI InChI=1S/C7H5BrN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96306
PNG
(2',3'-DIDEOXY-5-FLUOROCYTIDINE | 4-amino-5...)
Show SMILES Nc1nc(=O)n(cc1F)C1CCC(CO)O1
Show InChI InChI=1S/C9H12FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96275
PNG
(1-methyl-4-(1-methyl-4-pyridin-1-iumyl)pyridin-1-i...)
Show SMILES C[n+]1ccc(cc1)-c1cc[n+](C)cc1
Show InChI InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM90863
PNG
(4-methoxy-N-[(salicyloylamino)thiocarbamoyl]benzam...)
Show SMILES COc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1ccccc1O
Show InChI InChI=1S/C16H15N3O4S/c1-23-11-8-6-10(7-9-11)14(21)17-16(24)19-18-15(22)12-4-2-3-5-13(12)20/h2-9,20H,1H3,(H,18,22)(H2,17,19,21,24)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96289
PNG
(1,3-benzothiazol-2-yl-[1-(4-pyrimidyl)ethylideneam...)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1ccncn1
Show InChI InChI=1S/C13H11N5S/c1-9(10-6-7-14-8-15-10)17-18-13-16-11-4-2-3-5-12(11)19-13/h2-9H,1H3
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96296
PNG
(MLS001203771 | N-[(5-Chloro-8-hydroxy-quinolin-7-y...)
Show SMILES CN(C)c1ccc(cc1)C(NC(C)=O)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C20H20ClN3O2/c1-12(25)23-18(13-6-8-14(9-7-13)24(2)3)16-11-17(21)15-5-4-10-22-19(15)20(16)26/h4-11,18,26H,1-3H3,(H,23,25)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM95879
PNG
((3,5-dichlorophenyl)-[5-(3-methoxyphenyl)-1H-imida...)
Show SMILES COc1cccc(c1)-c1c[nH]c(n1)C(O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C17H14Cl2N2O2/c1-23-14-4-2-3-10(7-14)15-9-20-17(21-15)16(22)11-5-12(18)8-13(19)6-11/h2-9,16,22H,1H3,(H,20,21)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM38893
PNG
(1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[...)
Show SMILES CC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C8H5F9N4OS/c1-5(7(12,13)14,8(15,16)17)19-3(22)18-4-21-20-2(23-4)6(9,10)11/h1H3,(H2,18,19,21,22)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96286
PNG
(5-Fluoro-1-(3,4-dideoxy-3-fluoro-6-O-trityl-.beta....)
Show SMILES FC1=CC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(C1=O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C29H22F2N2O5/c30-23-16-22(38-27(25(23)34)33-17-24(31)26(35)32-28(33)36)18-37-29(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22,27H,18H2,(H,32,35,36)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM22753
PNG
(1,2-bis(5-bromo-2-hydroxyphenyl)ethane-1,2-dione |...)
Show SMILES Oc1ccc(Br)cc1C(=O)C(=O)c1cc(Br)ccc1O
Show InChI InChI=1S/C14H8Br2O4/c15-7-1-3-11(17)9(5-7)13(19)14(20)10-6-8(16)2-4-12(10)18/h1-6,17-18H
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM95869
PNG
((3,5-dichlorophenyl)-[5-(4-methylphenyl)-1H-imidaz...)
Show SMILES Cc1ccc(cc1)-c1c[nH]c(n1)C(O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C17H14Cl2N2O/c1-10-2-4-11(5-3-10)15-9-20-17(21-15)16(22)12-6-13(18)8-14(19)7-12/h2-9,16,22H,1H3,(H,20,21)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM89995
PNG
(2-anilino-N'-({5-nitro-2-furyl}methylene)aceto...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)CNc2ccccc2)o1
Show InChI InChI=1S/C13H12N4O4/c18-12(9-14-10-4-2-1-3-5-10)16-15-8-11-6-7-13(21-11)17(19)20/h1-8,14H,9H2,(H,16,18)/b15-8+
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96265
PNG
(1-(3-Chloro-phenyl)-3-(3-fluoro-phenyl)-urea | 1-(...)
Show SMILES Fc1cccc(NC(=O)Nc2cccc(Cl)c2)c1
Show InChI InChI=1S/C13H10ClFN2O/c14-9-3-1-5-11(7-9)16-13(18)17-12-6-2-4-10(15)8-12/h1-8H,(H2,16,17,18)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96248
PNG
(11-(3-Fluoro-phenyl)-11,11a-dihydro-10-thia-5-aza-...)
Show SMILES Fc1cccc(c1)C1Sc2ccccc2N=C2C1C(=O)c1ccccc21
Show InChI InChI=1S/C22H14FNOS/c23-14-7-5-6-13(12-14)22-19-20(15-8-1-2-9-16(15)21(19)25)24-17-10-3-4-11-18(17)26-22/h1-12,19,22H
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM88850
PNG
((E)-(5,6-dimethylbenzimidazol-1-yl)-[(5-nitro-2-fu...)
Show SMILES Cc1cc2ncn(\N=C\c3ccc(o3)[N+]([O-])=O)c2cc1C
Show InChI InChI=1S/C14H12N4O3/c1-9-5-12-13(6-10(9)2)17(8-15-12)16-7-11-3-4-14(21-11)18(19)20/h3-8H,1-2H3/b16-7+
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96254
PNG
(5-({4-bromo-3-nitro-1H-pyrazol-1-yl}methyl)-N'...)
Show SMILES Cc1ccc(\C=N/NC(=O)c2ccc(Cn3cc(Br)c(n3)[N+]([O-])=O)o2)o1
Show InChI InChI=1S/C15H12BrN5O5/c1-9-2-3-10(25-9)6-17-18-15(22)13-5-4-11(26-13)7-20-8-12(16)14(19-20)21(23)24/h2-6,8H,7H2,1H3,(H,18,22)/b17-6-
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96253
PNG
(1-phenyl-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-...)
Show SMILES O=C(CSc1ccc(nn1)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C17H13N3OS/c21-16(13-6-2-1-3-7-13)12-22-17-10-9-15(19-20-17)14-8-4-5-11-18-14/h1-11H,12H2
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM59956
PNG
(4-[[(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxidany...)
Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(cc2)N=Cc2c(C)[nH]n(-c3ccc(C)c(C)c3)c2=O)s1
Show InChI InChI=1S/C23H24N6O3S2/c1-5-21-25-26-23(33-21)28-34(31,32)19-10-7-17(8-11-19)24-13-20-16(4)27-29(22(20)30)18-9-6-14(2)15(3)12-18/h6-13,27H,5H2,1-4H3,(H,26,28)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM65994
PNG
(4-amino-3-[2-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien...)
Show SMILES CC(C)(C)c1nnc(N=NCc2cc(Br)ccc2O)n(N)c1=O
Show InChI InChI=1S/C14H17BrN6O2/c1-14(2,3)11-12(23)21(16)13(20-18-11)19-17-7-8-6-9(15)4-5-10(8)22/h4-6,22H,7,16H2,1-3H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96287
PNG
((4Z)-N-[(2-chlorobenzylidene)amino]-4-(dimethylami...)
Show SMILES CN(C)N=Nc1c(C)n[nH]c1C(=O)NN=Cc1ccccc1Cl
Show InChI InChI=1S/C14H16ClN7O/c1-9-12(19-21-22(2)3)13(18-17-9)14(23)20-16-8-10-6-4-5-7-11(10)15/h4-8H,1-3H3,(H,17,18)(H,20,23)/b16-8+,21-19+
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM54190
PNG
(1-[4-(difluoromethoxy)phenyl]-3-[3-(trifluoromethy...)
Show SMILES FC(F)Oc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C15H11F5N2O2/c16-13(17)24-12-6-4-10(5-7-12)21-14(23)22-11-3-1-2-9(8-11)15(18,19)20/h1-8,13H,(H2,21,22,23)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96251
PNG
(6-methoxy-N'-[(Z)-(3-oxidanylidene-1-benzothiophen...)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)NN=Cc1sc2ccccc2c1O
Show InChI InChI=1S/C21H16N2O3S/c1-26-16-9-8-13-10-15(7-6-14(13)11-16)21(25)23-22-12-19-20(24)17-4-2-3-5-18(17)27-19/h2-12,24H,1H3,(H,23,25)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96243
PNG
(MLS000567377 | N-(4-bromanyl-3-methyl-phenyl)-2-(2...)
Show SMILES Cc1cc(NC(=O)Cn2c(C)nc3ccccc3c2=O)ccc1Br
Show InChI InChI=1S/C18H16BrN3O2/c1-11-9-13(7-8-15(11)19)21-17(23)10-22-12(2)20-16-6-4-3-5-14(16)18(22)24/h3-9H,10H2,1-2H3,(H,21,23)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96273
PNG
(MLS001224372 | N-[(E)-(5-nitro-2-furanyl)methylide...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)c2ccc3OCOc3c2)o1
Show InChI InChI=1S/C13H9N3O6/c17-13(8-1-3-10-11(5-8)21-7-20-10)15-14-6-9-2-4-12(22-9)16(18)19/h1-6H,7H2,(H,15,17)/b14-6+
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96278
PNG
(MLS002206627 | N',N'-dimethyl-2-phenyl-2-[2-(trifl...)
Show SMILES CCC(ONc1ccccc1C(F)(F)F)(C(=O)NN(C)C)c1ccccc1
Show InChI InChI=1S/C19H22F3N3O2/c1-4-18(17(26)23-25(2)3,14-10-6-5-7-11-14)27-24-16-13-9-8-12-15(16)19(20,21)22/h5-13,24H,4H2,1-3H3,(H,23,26)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50387
PNG
(1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1...)
Show SMILES Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O
Show InChI InChI=1S/C13H12N4O3S/c18-10-4-3-8(11(19)12(10)20)6-15-17-13(21)16-9-2-1-5-14-7-9/h1-7,18-20H,(H2,16,17,21)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96301
PNG
((3,5-dimethylphenyl)-[5-(4-methylphenyl)-1H-imidaz...)
Show SMILES Cc1ccc(cc1)-c1c[nH]c(n1)C(O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C19H20N2O/c1-12-4-6-15(7-5-12)17-11-20-19(21-17)18(22)16-9-13(2)8-14(3)10-16/h4-11,18,22H,1-3H3,(H,20,21)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM57526
PNG
(11-(4-Chloro-phenyl)-11,11a-dihydro-10-thia-5-aza-...)
Show SMILES Clc1ccc(cc1)C1Sc2ccccc2N=C2C1C(=O)c1ccccc21
Show InChI InChI=1S/C22H14ClNOS/c23-14-11-9-13(10-12-14)22-19-20(15-5-1-2-6-16(15)21(19)25)24-17-7-3-4-8-18(17)26-22/h1-12,19,22H
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM59955
PNG
(4-[[(Z)-[1-(3-chlorophenyl)-3-methyl-5-oxidanylide...)
Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(cc2)N=Cc2c(C)[nH]n(-c3cccc(Cl)c3)c2=O)s1
Show InChI InChI=1S/C21H19ClN6O3S2/c1-3-19-24-25-21(32-19)27-33(30,31)17-9-7-15(8-10-17)23-12-18-13(2)26-28(20(18)29)16-6-4-5-14(22)11-16/h4-12,26H,3H2,1-2H3,(H,25,27)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM87378
PNG
(MLS002702369 | N-[1-[(carbamothioylhydrazinylidene...)
Show SMILES CCN(C(C)=O)c1cnc(C=NNC(N)=S)c2ccccc12
Show InChI InChI=1S/C15H17N5OS/c1-3-20(10(2)21)14-9-17-13(8-18-19-15(16)22)11-6-4-5-7-12(11)14/h4-9H,3H2,1-2H3,(H3,16,19,22)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM65305
PNG
(3-(4-hydroxyphenyl)-2-[(E)-2-(5-nitro-2-furanyl)et...)
Show SMILES Oc1ccc(cc1)-n1c(\C=C\c2ccc(o2)[N+]([O-])=O)nc2ccccc2c1=O
Show InChI InChI=1S/C20H13N3O5/c24-14-7-5-13(6-8-14)22-18(11-9-15-10-12-19(28-15)23(26)27)21-17-4-2-1-3-16(17)20(22)25/h1-12,24H/b11-9+
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM58920
PNG
(MLS001157103 | N-[5-chloranyl-2-(1,2,4-triazol-1-y...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1cc(Cl)ccc1-n1cncn1
Show InChI InChI=1S/C13H8ClN5O4/c14-8-1-2-10(18-7-15-6-16-18)9(5-8)17-13(20)11-3-4-12(23-11)19(21)22/h1-7H,(H,17,20)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM53399
PNG
((6E)-6-[[(6-chloro-1,2-dihydropyridazin-3-yl)hydra...)
Show SMILES Oc1ccc(CN=Nc2ccc(Cl)nn2)c(O)c1O
Show InChI InChI=1S/C11H9ClN4O3/c12-8-3-4-9(16-14-8)15-13-5-6-1-2-7(17)11(19)10(6)18/h1-4,17-19H,5H2
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM81387
PNG
(Oxyquinoline, D3, #1 | cid_3129250)
Show SMILES CCCCC(=O)NC(c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C23H26N2O4/c1-4-5-8-20(26)25-21(16-10-12-18(28-2)19(14-16)29-3)17-11-9-15-7-6-13-24-22(15)23(17)27/h6-7,9-14,21,27H,4-5,8H2,1-3H3,(H,25,26)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM80817
PNG
(1-(2-methoxyphenyl)-3-(1-pyridin-2-ylethylideneami...)
Show SMILES COc1ccccc1NC(=S)NN=C(C)c1ccccn1
Show InChI InChI=1S/C15H16N4OS/c1-11(12-7-5-6-10-16-12)18-19-15(21)17-13-8-3-4-9-14(13)20-2/h3-10H,1-2H3,(H2,17,19,21)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM95874
PNG
((3-chlorophenyl)-(5-naphthalen-2-yl-1H-imidazol-2-...)
Show SMILES OC(c1nc(c[nH]1)-c1ccc2ccccc2c1)c1cccc(Cl)c1
Show InChI InChI=1S/C20H15ClN2O/c21-17-7-3-6-16(11-17)19(24)20-22-12-18(23-20)15-9-8-13-4-1-2-5-14(13)10-15/h1-12,19,24H,(H,22,23)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96299
PNG
((3,5-dimethylphenyl)-(5-naphthalen-2-yl-1H-imidazo...)
Show SMILES Cc1cc(C)cc(c1)C(O)c1nc(c[nH]1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H20N2O/c1-14-9-15(2)11-19(10-14)21(25)22-23-13-20(24-22)18-8-7-16-5-3-4-6-17(16)12-18/h3-13,21,25H,1-2H3,(H,23,24)
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BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96276
PNG
(6-nitro-1-oxidanidyl-2-phenyl-indazol-1-ium-3-carb...)
Show SMILES [O-][N+](=O)c1ccc2c(c1)[n+](=O)n(-c1ccccc1)c2=C=[N-]
Show InChI InChI=1S/C14H8N4O3/c15-9-14-12-7-6-11(18(20)21)8-13(12)17(19)16(14)10-4-2-1-3-5-10/h1-8H
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM64032
PNG
(MLS001210777 | N-[(5-Chloro-8-hydroxy-quinolin-7-y...)
Show SMILES CC(=O)NC(c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C19H17ClN2O2/c1-11-5-7-13(8-6-11)17(22-12(2)23)15-10-16(20)14-4-3-9-21-18(14)19(15)24/h3-10,17,24H,1-2H3,(H,22,23)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM47438
PNG
(MLS000712620 | N-(3-methylphenyl)-5-nitro-2-furanc...)
Show SMILES Cc1cccc(NC(=O)c2ccc(o2)[N+]([O-])=O)c1
Show InChI InChI=1S/C12H10N2O4/c1-8-3-2-4-9(7-8)13-12(15)10-5-6-11(18-10)14(16)17/h2-7H,1H3,(H,13,15)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96240
PNG
(1-(1-keto-3,6-dimethyl-4-oxido-quinoxalin-1-ium-2-...)
Show SMILES CC(=O)C1=C(C)N([O-])c2cc(C)ccc2[N+]1=O
Show InChI InChI=1S/C12H12N2O3/c1-7-4-5-10-11(6-7)13(16)8(2)12(9(3)15)14(10)17/h4-6H,1-3H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96264
PNG
(2,3-dihydroindol-1-yl-(5-nitro-2-furanyl)methanone...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C13H10N2O4/c16-13(11-5-6-12(19-11)15(17)18)14-8-7-9-3-1-2-4-10(9)14/h1-6H,7-8H2
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96272
PNG
(MLS001147296 | N-(4-{[2-(2,4-dihydroxybenzylidene)...)
Show SMILES Oc1ccc(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c(O)c1
Show InChI InChI=1S/C21H23N3O4/c25-18-11-8-16(19(26)12-18)13-22-24-21(28)15-6-9-17(10-7-15)23-20(27)14-4-2-1-3-5-14/h6-14,25-26H,1-5H2,(H,23,27)(H,24,28)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96249
PNG
((4,6-Dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-morp...)
Show SMILES Cc1cc(C)c2c(N=NN3CCOCC3)[nH]nc2n1
Show InChI InChI=1S/C12H16N6O/c1-8-7-9(2)13-11-10(8)12(15-14-11)16-17-18-3-5-19-6-4-18/h7H,3-6H2,1-2H3,(H,13,14,15)/b17-16+
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM58394
PNG
(10-hydroxy-5-oxido-2-phenazin-5-iumone | 10-hydrox...)
Show SMILES On1c2ccccc2[n+]([O-])c2ccc(=O)cc12
Show InChI InChI=1S/C12H8N2O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,17H
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM68041
PNG
((E)-2-(1H-Benzoimidazol-2-yl)-3-(5-nitro-furan-2-y...)
Show SMILES [O-][N+](=O)c1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)o1
Show InChI InChI=1S/C14H8N4O3/c15-8-9(7-10-5-6-13(21-10)18(19)20)14-16-11-3-1-2-4-12(11)17-14/h1-7H,(H,16,17)/b9-7+
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96283
PNG
(1,3-bis[[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)m...)
Show SMILES Oc1ccccc1C=NNC(=S)NN=Cc1ccccc1O
Show InChI InChI=1S/C15H14N4O2S/c20-13-7-3-1-5-11(13)9-16-18-15(22)19-17-10-12-6-2-4-8-14(12)21/h1-10,20-21H,(H2,18,19,22)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96305
PNG
(4-amino-5-chloro-1-(4-hydroxy-5-methylol-tetrahydr...)
Show SMILES Nc1nc(=O)n(cc1Cl)C1CC(O)C(CO)O1
Show InChI InChI=1S/C9H12ClN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM93557
PNG
(4-(4-benzylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-b...)
Show SMILES [O-][N+](=O)c1c[cH-]c(N2CCN(Cc3ccccc3)CC2)c2[c+]1[n-]o[n+]2=O
Show InChI InChI=1S/C17H17N5O4/c23-21(24)14-6-7-15(17-16(14)18-26-22(17)25)20-10-8-19(9-11-20)12-13-4-2-1-3-5-13/h1-7H,8-12H2
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50356932
PNG
(CHEMBL1889525 | cid_40237)
Show SMILES Nc1nc2ccc(Cl)cc2o1
Show InChI InChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96285
PNG
(2-Quinoxalinecarbonitrile , 7-chloro-3-(phenylamin...)
Show SMILES On1c2ccc(Cl)cc2[n+]([O-])c(C#N)\c1=N/c1ccccc1
Show InChI InChI=1S/C15H9ClN4O2/c16-10-6-7-12-13(8-10)19(21)14(9-17)15(20(12)22)18-11-4-2-1-3-5-11/h1-8,22H/b18-15+
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM96288
PNG
(2-amino-9-(3-hydroxy-5-methylol-tetrahydrofuran-2-...)
Show SMILES Nc1nc2n(cnc2c(=S)[nH]1)C1OC(CO)CC1O
Show InChI InChI=1S/C10H13N5O3S/c11-10-13-7-6(8(19)14-10)12-3-15(7)9-5(17)1-4(2-16)18-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,19)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%