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Compile Data Set for Download or QSAR

Found 711 hits Enz. Inhib. hit(s) with Target = 'DNA recombination protein RecA' AND taxid = 83332   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM63230
PNG
(2-methyl-4,9-bis(oxidanylidene)-N-(pyridin-3-ylmet...)
Show SMILES Cc1oc2c(c1C(=O)NCc1cccnc1)C(=O)c1ccccc1C2=O
Show InChI InChI=1S/C20H14N2O4/c1-11-15(20(25)22-10-12-5-4-8-21-9-12)16-17(23)13-6-2-3-7-14(13)18(24)19(16)26-11/h2-9H,10H2,1H3,(H,22,25)
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Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM63694
PNG
(2-chloranyl-N-[3-(4-fluorophenyl)-1-phenyl-pyrazol...)
Show SMILES Fc1ccc(cc1)-c1nn(cc1NC(=O)CCl)-c1ccccc1
Show InChI InChI=1S/C17H13ClFN3O/c18-10-16(23)20-15-11-22(14-4-2-1-3-5-14)21-17(15)12-6-8-13(19)9-7-12/h1-9,11H,10H2,(H,20,23)
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Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70712
PNG
(Isonicotinic acid [1-(2-oxo-2H-chromen-3-yl)-eth-(...)
Show SMILES CC(=NNC(=O)c1ccncc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C17H13N3O3/c1-11(19-20-16(21)12-6-8-18-9-7-12)14-10-13-4-2-3-5-15(13)23-17(14)22/h2-10H,1H3,(H,20,21)
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n/an/a 290n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM48249
PNG
(MLS000541615 | N-[1,4-bis(oxidanylidene)-3-(2-phen...)
Show SMILES CC(=O)N(Cc1ccc(F)cc1)c1c(O)c2ccccc2c(O)c1N=CCc1ccccc1
Show InChI InChI=1S/C27H23FN2O3/c1-18(31)30(17-20-11-13-21(28)14-12-20)25-24(29-16-15-19-7-3-2-4-8-19)26(32)22-9-5-6-10-23(22)27(25)33/h2-14,16,32-33H,15,17H2,1H3
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Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM71299
PNG
(2-chloranyl-N-[3-(phenylcarbonyl)thiophen-2-yl]eth...)
Show SMILES ClCC(=O)Nc1sccc1C(=O)c1ccccc1
Show InChI InChI=1S/C13H10ClNO2S/c14-8-11(16)15-13-10(6-7-18-13)12(17)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
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n/an/a 860n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70523
PNG
(1-(2-methylphenyl)-4,6-dinitro-indazole | 1-(2-met...)
Show SMILES Cc1ccccc1-n1ncc2c(cc(cc12)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O4/c1-9-4-2-3-5-12(9)16-13-6-10(17(19)20)7-14(18(21)22)11(13)8-15-16/h2-8H,1H3
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Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70741
PNG
(2-Chloro-N-[5-ethyl-3-(4-methyl-benzoyl)-thiophen-...)
Show SMILES CCc1cc(C(=O)c2ccc(C)cc2)c(NC(=O)CCl)s1
Show InChI InChI=1S/C16H16ClNO2S/c1-3-12-8-13(16(21-12)18-14(19)9-17)15(20)11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3,(H,18,19)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM32102
PNG
(1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...)
Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
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n/an/a 1.35E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM61119
PNG
(2-Chloro-1-(8-methyl-1,2,3a,4,5,6-hexahydro-pyrazi...)
Show SMILES Cc1ccc2n3CCN(C4CCCc(c34)c2c1)C(=O)CCl
Show InChI InChI=1S/C17H19ClN2O/c1-11-5-6-14-13(9-11)12-3-2-4-15-17(12)20(14)8-7-19(15)16(21)10-18/h5-6,9,15H,2-4,7-8,10H2,1H3
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Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM56561
PNG
(2-Chloro-N-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-...)
Show SMILES Cc1nn(c(Cl)c1CN(C(=O)CCl)c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C19H16Cl3N3O/c1-13-17(19(22)25(23-13)16-5-3-2-4-6-16)12-24(18(26)11-20)15-9-7-14(21)8-10-15/h2-10H,11-12H2,1H3
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n/an/a 1.53E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM64146
PNG
(MLS001172197 | N-(1,3-benzodioxol-5-yl)-2-chlorany...)
Show SMILES ClCC(=O)N(Cc1ccccc1OCC=C)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H18ClNO4/c1-2-9-23-16-6-4-3-5-14(16)12-21(19(22)11-20)15-7-8-17-18(10-15)25-13-24-17/h2-8,10H,1,9,11-13H2
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n/an/a 1.64E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM71109
PNG
(2-chloranyl-N-[4-[phenyl(propan-2-yl)amino]phenyl]...)
Show SMILES CC(C)N(c1ccccc1)c1ccc(NC(=O)CCl)cc1
Show InChI InChI=1S/C17H19ClN2O/c1-13(2)20(15-6-4-3-5-7-15)16-10-8-14(9-11-16)19-17(21)12-18/h3-11,13H,12H2,1-2H3,(H,19,21)
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Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70847
PNG
(2-chloranyl-1-(3-phenyl-2,3-dihydro-1,4-benzoxazin...)
Show SMILES ClCC(=O)N1C(COc2ccccc12)c1ccccc1
Show InChI InChI=1S/C16H14ClNO2/c17-10-16(19)18-13-8-4-5-9-15(13)20-11-14(18)12-6-2-1-3-7-12/h1-9,14H,10-11H2
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n/an/a 1.69E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM34671
PNG
(1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-...)
Show SMILES Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM63026
PNG
(2-Chloro-N-(4-chloro-phenyl)-N-(1H-indol-3-yl)-ace...)
Show SMILES ClCC(=O)N(c1c[nH]c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2O/c17-9-16(21)20(12-7-5-11(18)6-8-12)15-10-19-14-4-2-1-3-13(14)15/h1-8,10,19H,9H2
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n/an/a 1.91E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM54370
PNG
(2-chloranyl-N-(1-ethanoylindol-3-yl)-N-(4-methylph...)
Show SMILES CC(=O)n1cc(N(C(=O)CCl)c2ccc(C)cc2)c2ccccc12
Show InChI InChI=1S/C19H17ClN2O2/c1-13-7-9-15(10-8-13)22(19(24)11-20)18-12-21(14(2)23)17-6-4-3-5-16(17)18/h3-10,12H,11H2,1-2H3
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n/an/a 1.95E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM71168
PNG
(2-chloranyl-N-(1-ethanoylindol-3-yl)-N-phenyl-etha...)
Show SMILES CC(=O)n1cc(N(C(=O)CCl)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C18H15ClN2O2/c1-13(22)20-12-17(15-9-5-6-10-16(15)20)21(18(23)11-19)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3
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n/an/a 2.14E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM41584
PNG
((4-decyl-1,2,3,5,6,7-hexahydrodicyclopenta[1,2-c:1...)
Show SMILES CCCCCCCCCCn1c2CCCc2c(=N)c2CCCc12
Show InChI InChI=1S/C21H34N2/c1-2-3-4-5-6-7-8-9-16-23-19-14-10-12-17(19)21(22)18-13-11-15-20(18)23/h22H,2-16H2,1H3
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n/an/a 2.16E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM47873
PNG
(2-chloranyl-N-(1-ethanoylindol-3-yl)-N-(4-nitrophe...)
Show SMILES CC(=O)n1cc(N(C(=O)CCl)c2ccc(cc2)[N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C18H14ClN3O4/c1-12(23)20-11-17(15-4-2-3-5-16(15)20)21(18(24)10-19)13-6-8-14(9-7-13)22(25)26/h2-9,11H,10H2,1H3
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n/an/a 3.24E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM47900
PNG
(1-(5-bromo-2-fluorophenyl)-2-(chloroacetyl)-6,7-di...)
Show SMILES COc1cc2CCN(C(c3cc(Br)ccc3F)c2cc1OC)C(=O)CCl
Show InChI InChI=1S/C19H18BrClFNO3/c1-25-16-7-11-5-6-23(18(24)10-21)19(13(11)9-17(16)26-2)14-8-12(20)3-4-15(14)22/h3-4,7-9,19H,5-6,10H2,1-2H3
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n/an/a 5.91E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM31061
PNG
(4-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylthieno[...)
Show SMILES Clc1ccc(cc1)-n1nnnc1Sc1ncnc2sccc12
Show InChI InChI=1S/C13H7ClN6S2/c14-8-1-3-9(4-2-8)20-13(17-18-19-20)22-12-10-5-6-21-11(10)15-7-16-12/h1-7H
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n/an/a 5.98E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

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Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM71100
PNG
(5-tert-butyl-N'-(2-chloranylethanoyl)-4,5,6,7-tetr...)
Show SMILES CC(C)(C)C1CCc2sc(cc2C1)C(=O)NNC(=O)CCl
Show InChI InChI=1S/C15H21ClN2O2S/c1-15(2,3)10-4-5-11-9(6-10)7-12(21-11)14(20)18-17-13(19)8-16/h7,10H,4-6,8H2,1-3H3,(H,17,19)(H,18,20)
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Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM40314
PNG
(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN5O2/c1-18-12(20)9-11(16-13(18)21)19(2)17-10(15-9)7-3-5-8(14)6-4-7/h3-6H,1-2H3
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n/an/a 6.35E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM43224
PNG
(1-ethyl-6-methyl-3-[(E)-2-phenylethenyl]pyrimido[5...)
Show SMILES CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C16H15N5O2/c1-3-21-14-13(15(22)20(2)16(23)18-14)17-12(19-21)10-9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b10-9+
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n/an/a 6.39E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70765
PNG
(2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-(2-...)
Show SMILES COc1ccc(cc1)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CCl
Show InChI InChI=1S/C23H23ClN2O3S/c1-29-19-11-9-18(10-12-19)26(21(27)16-24)22(20-8-5-15-30-20)23(28)25-14-13-17-6-3-2-4-7-17/h2-12,15,22H,13-14,16H2,1H3,(H,25,28)
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n/an/a 7.80E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM41845
PNG
(3-nitro-N-[2,2,2-trichloro-1-({[(2,4-dichloropheny...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)NC(NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl
Show InChI InChI=1S/C16H11Cl5N4O3S/c17-9-4-5-12(11(18)7-9)22-15(29)24-14(16(19,20)21)23-13(26)8-2-1-3-10(6-8)25(27)28/h1-7,14H,(H,23,26)(H2,22,24,29)
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n/an/a 9.33E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM54255
PNG
(4-chloranyl-N-[3-[methyl(phenyl)amino]-1,4-bis(oxi...)
Show SMILES CN(C1=C(NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C24H17ClN2O3/c1-27(17-7-3-2-4-8-17)21-20(26-24(30)15-11-13-16(25)14-12-15)22(28)18-9-5-6-10-19(18)23(21)29/h2-14H,1H3,(H,26,30)
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n/an/a 9.43E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM57130
PNG
(2-(trifluoromethyl)-3-veratroyl-benzo[f]benzofuran...)
Show SMILES COc1ccc(cc1OC)C(=O)c1c(oc2c1C(=O)c1ccccc1C2=O)C(F)(F)F
Show InChI InChI=1S/C22H13F3O6/c1-29-13-8-7-10(9-14(13)30-2)17(26)16-15-18(27)11-5-3-4-6-12(11)19(28)20(15)31-21(16)22(23,24)25/h3-9H,1-2H3
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n/an/a 9.48E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM71231
PNG
(1H-benzimidazol-2-yl-[(1,2-dimethylindol-3-yl)meth...)
Show SMILES Cc1c(CN=Nc2nc3ccccc3[nH]2)c2ccccc2n1C
Show InChI InChI=1S/C18H17N5/c1-12-14(13-7-3-6-10-17(13)23(12)2)11-19-22-18-20-15-8-4-5-9-16(15)21-18/h3-10H,11H2,1-2H3,(H,20,21)/b22-19+
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n/an/a 9.50E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM51771
PNG
(1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]...)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccn1
Show InChI InChI=1S/C12H10N6O2/c1-17-11(19)8-10(15-12(17)20)18(2)16-9(14-8)7-5-3-4-6-13-7/h3-6H,1-2H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM34598
PNG
(MLS000094981 | SMR000030532 | cid_3236301)
Show SMILES CCc1nc2c3no[n+]([O-])c3c3non(O)c3c2n1
Show InChI InChI=1S/C9H6N6O4/c1-2-3-10-4-5(11-3)8-7(13-19-14(8)16)9-6(4)12-18-15(9)17/h16H,2H2,1H3
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n/an/a 1.15E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM68109
PNG
((3Z)-7-bromanyl-5-methyl-3-(2-oxidanylidene-2-thio...)
Show SMILES Cc1cc2\C(=C\C(=O)c3cccs3)C(=O)Nc2c(Br)c1
Show InChI InChI=1S/C15H10BrNO2S/c1-8-5-9-10(7-12(18)13-3-2-4-20-13)15(19)17-14(9)11(16)6-8/h2-7H,1H3,(H,17,19)/b10-7-
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n/an/a 1.17E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM66480
PNG
(4,5-bis(chloranyl)-2-[(3,5-dimethylphenyl)methyl]p...)
Show SMILES Cc1cc(C)cc(Cn2ncc(Cl)c(Cl)c2=O)c1
Show InChI InChI=1S/C13H12Cl2N2O/c1-8-3-9(2)5-10(4-8)7-17-13(18)12(15)11(14)6-16-17/h3-6H,7H2,1-2H3
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n/an/a 1.17E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70702
PNG
(Chloro-acetic acid N'-(2-hydroxy-2,2-diphenyl-...)
Show SMILES Cc1ccc(cc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)CCl
Show InChI InChI=1S/C23H21ClN2O3/c1-17-12-14-20(15-13-17)26(21(27)16-24)25-22(28)23(29,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,29H,16H2,1H3,(H,25,28)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70489
PNG
(1-(3-methylbenzyl)-1H-naphtho[2,3-d][1,2,3]triazol...)
Show SMILES Cc1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
Show InChI InChI=1S/C18H13N3O2/c1-11-5-4-6-12(9-11)10-21-16-15(19-20-21)17(22)13-7-2-3-8-14(13)18(16)23/h2-9H,10H2,1H3
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n/an/a 1.37E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70854
PNG
(2-chloranyl-N-[4-(3,4-dimethylphenyl)sulfanylpheny...)
Show SMILES Cc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1C
Show InChI InChI=1S/C16H16ClNOS/c1-11-3-6-15(9-12(11)2)20-14-7-4-13(5-8-14)18-16(19)10-17/h3-9H,10H2,1-2H3,(H,18,19)
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n/an/a 1.44E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70761
PNG
(2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cycl...)
Show SMILES ClCC(=O)N(C(C(=O)NC1CCCCC1)c1cccnc1)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23Cl2N3O2/c22-13-19(27)26(18-10-4-7-16(23)12-18)20(15-6-5-11-24-14-15)21(28)25-17-8-2-1-3-9-17/h4-7,10-12,14,17,20H,1-3,8-9,13H2,(H,25,28)
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n/an/a 1.55E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM71453
PNG
(MLS001179760 | N-(2-pyridinylmethylideneamino)-1-p...)
Show SMILES C(N=Nc1nncc2ccccc12)c1ccccn1
Show InChI InChI=1S/C14H11N5/c1-2-7-13-11(5-1)9-16-18-14(13)19-17-10-12-6-3-4-8-15-12/h1-9H,10H2
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n/an/a 1.59E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70825
PNG
(2-chloranyl-N-[4-(2,4-dimethylphenyl)sulfanylpheny...)
Show SMILES Cc1ccc(Sc2ccc(NC(=O)CCl)cc2)c(C)c1
Show InChI InChI=1S/C16H16ClNOS/c1-11-3-8-15(12(2)9-11)20-14-6-4-13(5-7-14)18-16(19)10-17/h3-9H,10H2,1-2H3,(H,18,19)
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n/an/a 1.77E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM71037
PNG
(2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzo...)
Show SMILES Cc1oc2c(c1C(=O)N1CCOCC1)C(=O)c1ccccc1C2=O
Show InChI InChI=1S/C18H15NO5/c1-10-13(18(22)19-6-8-23-9-7-19)14-15(20)11-4-2-3-5-12(11)16(21)17(14)24-10/h2-5H,6-9H2,1H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM71248
PNG
((E)-4-[[5-(4-tert-butylphenyl)-2-carbomethoxy-3-th...)
Show SMILES COC(=O)c1sc(cc1NC(=O)\C=C\C(O)=O)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H21NO5S/c1-20(2,3)13-7-5-12(6-8-13)15-11-14(18(27-15)19(25)26-4)21-16(22)9-10-17(23)24/h5-11H,1-4H3,(H,21,22)(H,23,24)/b10-9+
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n/an/a 1.91E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM47419
PNG
(2-(N-(2-chloro-1-oxoethyl)-3-methoxyanilino)-N-(2-...)
Show SMILES COc1cccc(c1)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CCl
Show InChI InChI=1S/C23H23ClN2O3S/c1-29-19-10-5-9-18(15-19)26(21(27)16-24)22(20-11-6-14-30-20)23(28)25-13-12-17-7-3-2-4-8-17/h2-11,14-15,22H,12-13,16H2,1H3,(H,25,28)
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n/an/a 1.91E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70817
PNG
(4-[1-(4-fluorophenyl)-2-nitro-ethyl]-5-methyl-2-ph...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+]([O-])=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H16FN3O3/c1-12-17(18(23)22(20-12)15-5-3-2-4-6-15)16(11-21(24)25)13-7-9-14(19)10-8-13/h2-10,16,20H,11H2,1H3
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n/an/a 1.96E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70763
PNG
(2-(N-(2-chloro-1-oxoethyl)-3,4-dimethylanilino)-N-...)
Show SMILES Cc1ccc(cc1C)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CCl
Show InChI InChI=1S/C23H28ClN3O2/c1-16-10-11-20(13-17(16)2)27(21(28)14-24)22(18-7-6-12-25-15-18)23(29)26-19-8-4-3-5-9-19/h6-7,10-13,15,19,22H,3-5,8-9,14H2,1-2H3,(H,26,29)
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n/an/a 2.05E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70736
PNG
(2-Chloro-N-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-...)
Show SMILES Cc1nn(c(Cl)c1CN(C(=O)CCl)c1cccc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H19Cl2N3O/c1-16-20(23(25)28(26-16)18-10-3-2-4-11-18)15-27(22(29)14-24)21-13-7-9-17-8-5-6-12-19(17)21/h2-13H,14-15H2,1H3
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n/an/a 2.18E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM41607
PNG
((4,5-dichloro-6-oxopyridazin-1-yl)methyl 2-chlorob...)
Show SMILES Clc1ccccc1C(=O)OCn1ncc(Cl)c(Cl)c1=O
Show InChI InChI=1S/C12H7Cl3N2O3/c13-8-4-2-1-3-7(8)12(19)20-6-17-11(18)10(15)9(14)5-16-17/h1-5H,6H2
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n/an/a 2.21E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM47422
PNG
(2-chloranyl-N-[4-(2,5-dimethylphenyl)sulfanylpheny...)
Show SMILES Cc1ccc(C)c(Sc2ccc(NC(=O)CCl)cc2)c1
Show InChI InChI=1S/C16H16ClNOS/c1-11-3-4-12(2)15(9-11)20-14-7-5-13(6-8-14)18-16(19)10-17/h3-9H,10H2,1-2H3,(H,18,19)
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n/an/a 2.25E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM65902
PNG
(5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]-N-(...)
Show SMILES CSc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)s1
Show InChI InChI=1S/C16H14ClN5O3S3/c1-9-4-3-5-10(6-9)8-28(24,25)15-18-7-11(17)12(19-15)13(23)20-14-21-22-16(26-2)27-14/h3-7H,8H2,1-2H3,(H,20,21,23)
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n/an/a 2.38E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM35523
PNG
(1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro...)
Show SMILES COc1cc2CC3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
Show InChI InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3
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n/an/a 2.58E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM33524
PNG
(MLS000041935 | N-[(1R)-2-methyl-1-[5-(3-methylbenz...)
Show SMILES CCC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1cccc(C)c1
Show InChI InChI=1S/C20H29N3O5S/c1-7-14(3)16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-9-13(2)11-15/h8-11,14,16H,7,12H2,1-6H3,(H,21,24)/t14?,16-/m1/s1
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n/an/a 3.19E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
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