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Compile Data Set for Download or QSAR

Found 355 hits Enz. Inhib. hit(s) with Target = 'exonuclease V (RecBCD complex), alpha chain' AND taxid = 83333   
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
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

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM77606
PNG
((5S)-1-[[(2S)-1-[(2S)-2-[(4R)-2-azanylidene-4-[(2R...)
Show SMILES CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N
Show InChI InChI=1S/C35H59N7/c1-4-13-31(42-26-33(27(3)5-2)40(35(42)37)21-11-18-28-14-9-10-15-28)24-39-20-12-19-30(39)25-41-32(23-38-34(41)36)22-29-16-7-6-8-17-29/h6-8,16-17,27-28,30-33,37H,4-5,9-15,18-26H2,1-3H3,(H2,36,38)/t27-,30+,31+,32+,33+/m1/s1
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n/an/a 1.52E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)

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)

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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n/an/a 1.86E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

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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n/an/a 1.86E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM58879
PNG
(1-(4-methylbenzyl)-2,4,6-tris(p-tolyl)pyridin-1-iu...)
Show SMILES Cc1ccc(C[n+]2c(cc(cc2-c2ccc(C)cc2)-c2ccc(C)cc2)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C34H32N/c1-24-5-13-28(14-6-24)23-35-33(30-17-9-26(3)10-18-30)21-32(29-15-7-25(2)8-16-29)22-34(35)31-19-11-27(4)12-20-31/h5-22H,23H2,1-4H3/q+1
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n/an/a 2.01E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)

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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n/an/a 2.07E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

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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n/an/a 2.18E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

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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n/an/a 2.31E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

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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n/an/a 2.67E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

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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n/an/a 2.69E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM77552
PNG
(5-[2-(2-pyridinylmethylidene)hydrazinyl]-2H-1,2,4-...)
Show SMILES O=c1nncc(N=NCc2ccccn2)[nH]1
Show InChI InChI=1S/C9H8N6O/c16-9-13-8(6-12-15-9)14-11-5-7-3-1-2-4-10-7/h1-4,6H,5H2,(H,13,15,16)/b14-11+
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n/an/a 2.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM40695
PNG
(10-(4-bromophenyl)-9-(4-methylphenyl)-7,8-dihydroi...)
Show SMILES Cc1ccc(cc1)-n1c(c[n+]-2c1CCc1ccc3cccnc3c-21)-c1ccc(Br)cc1
Show InChI InChI=1S/C27H21BrN3/c1-18-4-13-23(14-5-18)31-24(19-8-11-22(28)12-9-19)17-30-25(31)15-10-21-7-6-20-3-2-16-29-26(20)27(21)30/h2-9,11-14,16-17H,10,15H2,1H3/q+1
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n/an/a 2.84E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)

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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n/an/a 2.97E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

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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n/an/a 3.01E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50092158
PNG
(1,10-phenanthroline | CHEMBL415879 | US9187406, 1,...)
Show SMILES c1cnc2c(c1)ccc1cccnc21
Show InChI InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
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n/an/a 3.05E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)

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



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

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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n/an/a 3.39E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

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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n/an/a>3.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM77571
PNG
((3-chloro-4-fluoro-phenyl)-[5-(trifluoromethyl)-1,...)
Show SMILES Fc1ccc(Nc2nnc(s2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C9H4ClF4N3S/c10-5-3-4(1-2-6(5)11)15-8-17-16-7(18-8)9(12,13)14/h1-3H,(H,15,17)
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n/an/a>3.95E+4n/an/an/an/an/an/a



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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)

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)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50035245
PNG
(CHEMBL67311 | N*4*-Hydroxy-N*1*-[1-(2-hydroxymethy...)
Show SMILES CCCCCC(CC(=O)NO)C(=O)NC(C(C)C)C(=O)N1CCCC1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM57102
PNG
(MLS000541562 | N-cyclohexyl-6-phenyl-3-(2-pyridiny...)
Show SMILES C1CCC(CC1)Nc1nc(nnc1-c1ccccc1)-c1ccccn1
Show InChI InChI=1S/C20H21N5/c1-3-9-15(10-4-1)18-20(22-16-11-5-2-6-12-16)23-19(25-24-18)17-13-7-8-14-21-17/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H,22,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)

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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM77549
PNG
(5-nitro-N-(2-pyrimidinyl)-2-furancarboxamide | 5-n...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1ncccn1
Show InChI InChI=1S/C9H6N4O4/c14-8(12-9-10-4-1-5-11-9)6-2-3-7(17-6)13(15)16/h1-5H,(H,10,11,12,14)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)

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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM77521
PNG
((3-nitro-4-pentoxy-phenyl)methyl carbamimidothioat...)
Show SMILES CCCCCOc1ccc(CSC(N)=N)cc1[N+]([O-])=O
Show InChI InChI=1S/C13H19N3O3S/c1-2-3-4-7-19-12-6-5-10(9-20-13(14)15)8-11(12)16(17)18/h5-6,8H,2-4,7,9H2,1H3,(H3,14,15)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM57572
PNG
(5-Methyl-3-phenyl-isoxazole-4-carboxylic acid [N&#...)
Show SMILES Cc1onc(c1C(=O)NC(=S)NNC(=O)c1ccc(O)cc1O)-c1ccccc1
Show InChI InChI=1S/C19H16N4O5S/c1-10-15(16(23-28-10)11-5-3-2-4-6-11)18(27)20-19(29)22-21-17(26)13-8-7-12(24)9-14(13)25/h2-9,24-25H,1H3,(H,21,26)(H2,20,22,27,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)

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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM77607
PNG
(2-(1,3-benzodioxol-5-yl)-N-[(5-nitro-2-furanyl)met...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)Cc2ccc3OCOc3c2)o1
Show InChI InChI=1S/C14H11N3O6/c18-13(6-9-1-3-11-12(5-9)22-8-21-11)16-15-7-10-2-4-14(23-10)17(19)20/h1-5,7H,6,8H2,(H,16,18)/b15-7+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)

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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

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)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM77569
PNG
(8-Ethyl-5-oxo-2-[4-(2-trifluoromethyl-phenylthioca...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H21F3N6O3S/c1-2-29-12-14(19(33)34)17(32)13-11-26-20(28-18(13)29)30-7-9-31(10-8-30)21(35)27-16-6-4-3-5-15(16)22(23,24)25/h3-6,11-12H,2,7-10H2,1H3,(H,27,35)(H,33,34)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM77550
PNG
((2E)-1-ethyl-6-methyl-2-[(1-prop-2-enyl-2-quinolin...)
Show SMILES CCN1\C(=C\c2ccc3ccccc3[n+]2CC=C)C=Cc2cc(C)ccc12
Show InChI InChI=1S/C25H25N2/c1-4-16-27-23(13-11-20-8-6-7-9-24(20)27)18-22-14-12-21-17-19(3)10-15-25(21)26(22)5-2/h4,6-15,17-18H,1,5,16H2,2-3H3/q+1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM57939
PNG
(MLS000703514 | N-[(5-nitro-2-furanyl)methylideneam...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)Cc2ccc(cc2)[N+]([O-])=O)o1
Show InChI InChI=1S/C13H10N4O6/c18-12(7-9-1-3-10(4-2-9)16(19)20)15-14-8-11-5-6-13(23-11)17(21)22/h1-6,8H,7H2,(H,15,18)/b14-8+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)

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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n/an/a>3.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

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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n/an/a 4.09E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

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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n/an/a 4.12E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

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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n/an/a 4.35E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM61803
PNG
(MLS000537020 | N-(3,4-dichlorophenyl)-4,4,4-triflu...)
Show SMILES OC(CC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C11H7Cl2F6NO2/c12-6-2-1-5(3-7(6)13)20-8(21)4-9(22,10(14,15)16)11(17,18)19/h1-3,22H,4H2,(H,20,21)
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n/an/a 4.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM60214
PNG
(4-chloranyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benza...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C15H10ClN3O2/c16-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11/h1-9H,(H,17,19,20)
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n/an/a 4.42E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)

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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n/an/a 4.58E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

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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n/an/a 4.71E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

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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n/an/a 4.85E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

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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n/an/a 5.16E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

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 5.29E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
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