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PubChem AID 435010

Compile Data Set for Download or QSAR

Found 316 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
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70247
PNG
(6-Amino-4-(2-methoxy-phenyl)-3-propyl-2,4-dihydro-...)
Show SMILES CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccccc1OC
Show InChI InChI=1S/C17H18N4O2/c1-3-6-12-15-14(10-7-4-5-8-13(10)22-2)11(9-18)16(19)23-17(15)21-20-12/h4-5,7-8,11,14,19H,3,6H2,1-2H3,(H,20,21)
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n/an/an/an/a 2.07E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70256
PNG
(3-Chloro-1-(4-chloro-phenyl)-4-(4-methyl-piperazin...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H15Cl2N3O2/c1-18-6-8-19(9-7-18)13-12(17)14(21)20(15(13)22)11-4-2-10(16)3-5-11/h2-5H,6-9H2,1H3
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n/an/an/an/a 247n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM32001
PNG
(7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid | 7-...)
Show SMILES OC(=O)c1ccc2C(=O)c3ccccc3-c3ncnc1c23
Show InChI InChI=1S/C16H8N2O3/c19-15-9-4-2-1-3-8(9)13-12-10(15)5-6-11(16(20)21)14(12)18-7-17-13/h1-7H,(H,20,21)
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n/an/an/an/a 1.77E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70257
PNG
(6-Amino-4-(2-fluoro-phenyl)-3-methoxymethyl-1,4-di...)
Show SMILES COCc1n[nH]c2OC(=N)C(C#N)C(c12)c1ccccc1F
Show InChI InChI=1S/C15H13FN4O2/c1-21-7-11-13-12(8-4-2-3-5-10(8)16)9(6-17)14(18)22-15(13)20-19-11/h2-5,9,12,18H,7H2,1H3,(H,19,20)
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n/an/an/an/a 6.49E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70259
PNG
(2-[(3-keto-5-propyl-3-pyrazolin-4-yl)-phenyl-methy...)
Show SMILES CCCc1[nH][nH]c(=O)c1C(C(C#N)C#N)c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-2-6-13-15(16(21)20-19-13)14(12(9-17)10-18)11-7-4-3-5-8-11/h3-5,7-8,12,14H,2,6H2,1H3
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n/an/an/an/a 4.19E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70260
PNG
((3-Ethoxycarbonylmethylsulfanyl-5-oxo-4,5-dihydro-...)
Show SMILES CCCCOC(=O)CNc1nnc(SCC(=O)OCC)[nH]c1=O
Show InChI InChI=1S/C13H20N4O5S/c1-3-5-6-22-9(18)7-14-11-12(20)15-13(17-16-11)23-8-10(19)21-4-2/h3-8H2,1-2H3,(H,14,16)(H,15,17,20)
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n/an/an/an/a 4.56E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70261
PNG
(6-Amino-1-(3-chloro-phenyl)-3-methyl-4-pyridin-3-y...)
Show SMILES Cc1nn(c2OC(=N)C(C#N)C(c12)c1cccnc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H14ClN5O/c1-11-16-17(12-4-3-7-23-10-12)15(9-21)18(22)26-19(16)25(24-11)14-6-2-5-13(20)8-14/h2-8,10,15,17,22H,1H3
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n/an/an/an/a 5.05E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM36853
PNG
(MLS000034488 | N-tert-Butyl-2-[3-(2-chloro-benzyl)...)
Show SMILES CC(C)(C)NC(=O)CSc1ncnc2n(Cc3ccccc3Cl)nnc12
Show InChI InChI=1S/C17H19ClN6OS/c1-17(2,3)21-13(25)9-26-16-14-15(19-10-20-16)24(23-22-14)8-11-6-4-5-7-12(11)18/h4-7,10H,8-9H2,1-3H3,(H,21,25)
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n/an/an/an/a 8.37E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70269
PNG
(6-Amino-4-(2,5-dimethoxy-phenyl)-3-methyl-1-p-toly...)
Show SMILES COc1ccc(OC)c(c1)C1C(C#N)C(=N)Oc2c1c(C)nn2-c1ccc(C)cc1
Show InChI InChI=1S/C23H22N4O3/c1-13-5-7-15(8-6-13)27-23-20(14(2)26-27)21(18(12-24)22(25)30-23)17-11-16(28-3)9-10-19(17)29-4/h5-11,18,21,25H,1-4H3
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n/an/an/an/a 4.91E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70273
PNG
(6-Amino-4-(3,4-dimethoxy-phenyl)-3-methoxymethyl-1...)
Show SMILES COCc1n[nH]c2OC(=N)C(C#N)C(c12)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C17H18N4O4/c1-22-8-11-15-14(9-4-5-12(23-2)13(6-9)24-3)10(7-18)16(19)25-17(15)21-20-11/h4-6,10,14,19H,8H2,1-3H3,(H,20,21)
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n/an/an/an/a 6.25E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70277
PNG
(2-[(3-Chloro-phenyl)-(3-hydroxy-5-propyl-1H-pyrazo...)
Show SMILES CCCc1[nH][nH]c(=O)c1C(C(C#N)C#N)c1cccc(Cl)c1
Show InChI InChI=1S/C16H13ClN4O/c1-2-4-13-15(16(22)21-20-13)14(11(8-18)9-19)10-5-3-6-12(17)7-10/h3,5-7,11,14H,2,4H2,1H3
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n/an/an/an/a 755n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70280
PNG
(MLS000072567 | N-(3,5-Dimethyl-1-propionyl-1H-pyra...)
Show SMILES CCC(=O)Nc1c(C)nn(C(=O)CC)c1C
Show InChI InChI=1S/C11H17N3O2/c1-5-9(15)12-11-7(3)13-14(8(11)4)10(16)6-2/h5-6H2,1-4H3,(H,12,15)
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n/an/an/an/a>3.80E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM38017
PNG
(MLS000035420 | N-(2-Methyl-5-oxo-1-phenyl-4,5-dihy...)
Show SMILES CC(=O)NC1N=C(C)N(C1=O)c1ccccc1
Show InChI InChI=1S/C12H13N3O2/c1-8-13-11(14-9(2)16)12(17)15(8)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,14,16)
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n/an/an/an/a 1.07E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/an/an/a 1.02E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM50304149
PNG
(1H-indazol-6-amine | CHEMBL594707 | cid_81423)
Show SMILES Nc1ccc2cn[nH]c2c1
Show InChI InChI=1S/C7H7N3/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2,(H,9,10)
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n/an/an/an/a 9.02E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70308
PNG
(6-amino-3-methyl-4-(2-phenylethyl)-2,4-dihydropyra...)
Show SMILES Cc1[nH]nc2OC(=N)C(C#N)C(CCc3ccccc3)c12
Show InChI InChI=1S/C16H16N4O/c1-10-14-12(8-7-11-5-3-2-4-6-11)13(9-17)15(18)21-16(14)20-19-10/h2-6,12-13,18H,7-8H2,1H3,(H,19,20)
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n/an/an/an/a 6.58E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70313
PNG
((3-amino-1,2,4-triazol-1-yl)-(4-hexoxyphenyl)metha...)
Show SMILES CCCCCCOc1ccc(cc1)C(=O)n1cnc(N)n1
Show InChI InChI=1S/C15H20N4O2/c1-2-3-4-5-10-21-13-8-6-12(7-9-13)14(20)19-11-17-15(16)18-19/h6-9,11H,2-5,10H2,1H3,(H2,16,18)
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n/an/an/an/a 1.46E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70314
PNG
(6-amino-3-methyl-5-spiro[2H-pyrano[2,3-c]pyrazole-...)
Show SMILES Cc1[nH]nc2OC(=N)C(C#N)C3(CCOCC3)c12
Show InChI InChI=1S/C12H14N4O2/c1-7-9-11(16-15-7)18-10(14)8(6-13)12(9)2-4-17-5-3-12/h8,14H,2-5H2,1H3,(H,15,16)
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n/an/an/an/a 2.83E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70315
PNG
(6-amino-1-methyl-3-propyl-4-(4-pyridyl)-4H-pyrano[...)
Show SMILES CCCc1nn(C)c2OC(=N)C(C#N)C(c12)c1ccncc1
Show InChI InChI=1S/C16H17N5O/c1-3-4-12-14-13(10-5-7-19-8-6-10)11(9-17)15(18)22-16(14)21(2)20-12/h5-8,11,13,18H,3-4H2,1-2H3
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n/an/an/an/a 3.79E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70316
PNG
(1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(2-methoxyphen...)
Show SMILES COc1ccccc1N1CCN(CC(=O)c2c(C)[nH]c3cc(C)ccc23)CC1
Show InChI InChI=1S/C23H27N3O2/c1-16-8-9-18-19(14-16)24-17(2)23(18)21(27)15-25-10-12-26(13-11-25)20-6-4-5-7-22(20)28-3/h4-9,14,24H,10-13,15H2,1-3H3
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n/an/an/an/a 9.42E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM30743
PNG
(6-amino-8-(4-butoxy-3-methoxy-phenyl)-5,7,7-tricya...)
Show SMILES CCCCOc1ccc(cc1OC)C1C2CN(CCC2=C(C#N)C(=N)C1(C#N)C#N)C(=O)OCC
Show InChI InChI=1S/C26H29N5O4/c1-4-6-11-35-21-8-7-17(12-22(21)33-3)23-20-14-31(25(32)34-5-2)10-9-18(20)19(13-27)24(30)26(23,15-28)16-29/h7-8,12,20,23,30H,4-6,9-11,14H2,1-3H3
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n/an/an/an/a 2.98E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70332
PNG
(2-(3-methylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylqui...)
Show SMILES Cc1cccc(c1)S(=O)(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
Show InChI InChI=1S/C21H20N4O2S/c1-15-7-6-8-16(13-15)28(26,27)19(14-22)20-21(25-11-4-5-12-25)24-18-10-3-2-9-17(18)23-20/h2-3,6-10,13,19H,4-5,11-12H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM66247
PNG
(MLS000041932 | N-[2-[5-(2,4-dichlorobenzyl)sulfony...)
Show SMILES CC(C)(C)OC(=O)NCCc1nnc(o1)S(=O)(=O)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H19Cl2N3O5S/c1-16(2,3)26-14(22)19-7-6-13-20-21-15(25-13)27(23,24)9-10-4-5-11(17)8-12(10)18/h4-5,8H,6-7,9H2,1-3H3,(H,19,22)
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n/an/an/an/a 4.66E+3n/an/an/an/a



Broad Institute

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Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70339
PNG
(2,6-ditert-butyl-4-[[4-(2-hydroxyethyl)-1-piperazi...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(N1CCN(CCO)CC1)c1cccnc1
Show InChI InChI=1S/C26H39N3O2/c1-25(2,3)21-16-20(17-22(24(21)31)26(4,5)6)23(19-8-7-9-27-18-19)29-12-10-28(11-13-29)14-15-30/h7-9,16-18,23,30-31H,10-15H2,1-6H3
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n/an/an/an/a 1.73E+4n/an/an/an/a



Broad Institute

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Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70340
PNG
(2-furancarboxylic acid 2-naphthalenyl ester | MLS0...)
Show SMILES O=C(Oc1ccc2ccccc2c1)c1ccco1
Show InChI InChI=1S/C15H10O3/c16-15(14-6-3-9-17-14)18-13-8-7-11-4-1-2-5-12(11)10-13/h1-10H
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Broad Institute

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Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM43562
PNG
(2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl...)
Show SMILES CCCSc1nnc(Sc2nnnn2-c2ccccc2)s1
Show InChI InChI=1S/C12H12N6S3/c1-2-8-19-11-14-15-12(21-11)20-10-13-16-17-18(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
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n/an/an/an/a 1.45E+4n/an/an/an/a



Broad Institute

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Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM32778
PNG
(MLS000081703 | SMR000062919 | [2-(2-cyanoethyl)-5-...)
Show SMILES Cc1cc(OC(=O)c2ccccc2)n(CCC#N)n1
Show InChI InChI=1S/C14H13N3O2/c1-11-10-13(17(16-11)9-5-8-15)19-14(18)12-6-3-2-4-7-12/h2-4,6-7,10H,5,9H2,1H3
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n/an/an/an/a 2.67E+3n/an/an/an/a



Broad Institute

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Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM38079
PNG
(5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)sulfan...)
Show SMILES Cn1nnnc1Sc1ncnc2scc(-c3ccc(F)cc3)c12
Show InChI InChI=1S/C14H9FN6S2/c1-21-14(18-19-20-21)23-13-11-10(6-22-12(11)16-7-17-13)8-2-4-9(15)5-3-8/h2-7H,1H3
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n/an/an/an/a 1.12E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


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Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
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/an/an/a 337n/an/an/an/a



Broad Institute

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Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70346
PNG
(MLS000089481 | N-[(1,2-dimethyl-1H-indol-5-yl)meth...)
Show SMILES CCC(CC)C(=O)NCc1ccc2n(C)c(C)cc2c1
Show InChI InChI=1S/C17H24N2O/c1-5-14(6-2)17(20)18-11-13-7-8-16-15(10-13)9-12(3)19(16)4/h7-10,14H,5-6,11H2,1-4H3,(H,18,20)
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Broad Institute

Curated by PubChem BioAssay


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Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM31063
PNG
(2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3
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n/an/an/an/a 5.53E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


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Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70351
PNG
(2-furancarboxylic acid [3-[[2-furanyl(oxo)methyl]a...)
Show SMILES O=C(Nc1cccc(OC(=O)c2ccco2)c1)c1ccco1
Show InChI InChI=1S/C16H11NO5/c18-15(13-6-2-8-20-13)17-11-4-1-5-12(10-11)22-16(19)14-7-3-9-21-14/h1-10H,(H,17,18)
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n/an/an/an/a 1.01E+4n/an/an/an/a



Broad Institute

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Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM38821
PNG
(6-Amino-4-(3-ethoxy-4-hydroxy-phenyl)-3-phenyl-1,4...)
Show SMILES CCOc1cc(ccc1O)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccccc1
Show InChI InChI=1S/C21H18N4O3/c1-2-27-16-10-13(8-9-15(16)26)17-14(11-22)20(23)28-21-18(17)19(24-25-21)12-6-4-3-5-7-12/h3-10,14,17,23,26H,2H2,1H3,(H,24,25)
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n/an/an/an/a 689n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70381
PNG
(2-(6'-amino-5'-cyano-2-keto-3'-methyl-1'-phenyl-sp...)
Show SMILES COC(=O)CN1C(=O)C2(C(C#N)C(=N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H19N5O4/c1-14-20-22(29(27-14)15-8-4-3-5-9-15)33-21(26)17(12-25)24(20)16-10-6-7-11-18(16)28(23(24)31)13-19(30)32-2/h3-11,17,26H,13H2,1-2H3
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n/an/an/an/a 3.38E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM34412
PNG
(4-methoxy-N-(4-oxidanylnaphthalen-1-yl)benzenesulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C17H15NO4S/c1-22-12-6-8-13(9-7-12)23(20,21)18-16-10-11-17(19)15-5-3-2-4-14(15)16/h2-11,18-19H,1H3
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n/an/an/an/a 47.8n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70388
PNG
(6'-amino-1-benzyl-3'-methyl-2'H-spiro[...)
Show SMILES Cc1[nH]nc2OC(=N)C(C#N)C3(CCN(Cc4ccccc4)CC3)c12
Show InChI InChI=1S/C19H21N5O/c1-13-16-18(23-22-13)25-17(21)15(11-20)19(16)7-9-24(10-8-19)12-14-5-3-2-4-6-14/h2-6,15,21H,7-10,12H2,1H3,(H,22,23)
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n/an/an/an/a 1.07E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70390
PNG
(2-[[(5Z)-4-ethyl-5-(6-ketocyclohexa-2,4-dien-1-yli...)
Show SMILES CCn1c(SCC(=O)Nc2nc(cs2)-c2ccc(C)cc2)nnc1-c1ccccc1O
Show InChI InChI=1S/C22H21N5O2S2/c1-3-27-20(16-6-4-5-7-18(16)28)25-26-22(27)31-13-19(29)24-21-23-17(12-30-21)15-10-8-14(2)9-11-15/h4-12,28H,3,13H2,1-2H3,(H,23,24,29)
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n/an/an/an/a 1.74E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70400
PNG
(2-(6-amino-5-cyano-3-spiro[2H-pyrano[2,3-c]pyrazol...)
Show SMILES COC(=O)Cc1n[nH]c2OC(=N)C(C#N)C3(CCSCC3)c12
Show InChI InChI=1S/C14H16N4O3S/c1-20-10(19)6-9-11-13(18-17-9)21-12(16)8(7-15)14(11)2-4-22-5-3-14/h8,16H,2-6H2,1H3,(H,17,18)
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n/an/an/an/a 1.99E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70410
PNG
(2-isopropyl-4-methyl-1H-pyrrolo[3,4-c]quinoline-1,...)
Show SMILES CC(C)N1C(=O)c2c(C1=O)c1ccccc1nc2C
Show InChI InChI=1S/C15H14N2O2/c1-8(2)17-14(18)12-9(3)16-11-7-5-4-6-10(11)13(12)15(17)19/h4-8H,1-3H3
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n/an/an/an/a 851n/an/an/an/a



Broad Institute

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Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM43507
PNG
(4-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)-2-p...)
Show SMILES COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C20H22F3N3O5S/c1-30-16-6-3-2-5-14(16)15-13-17(20(21,22)23)25-19(24-15)32(28,29)12-4-7-18(27)26-8-10-31-11-9-26/h2-3,5-6,13H,4,7-12H2,1H3
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n/an/an/an/a 4.26E+3n/an/an/an/a



Broad Institute

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Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM62778
PNG
(4-(3-oxo-5-phenyl-1H-pyrazol-2-yl)benzoic acid eth...)
Show SMILES CCOC(=O)c1ccc(cc1)-n1[nH]c(cc1=O)-c1ccccc1
Show InChI InChI=1S/C18H16N2O3/c1-2-23-18(22)14-8-10-15(11-9-14)20-17(21)12-16(19-20)13-6-4-3-5-7-13/h3-12,19H,2H2,1H3
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n/an/an/an/a 2.25E+3n/an/an/an/a



Broad Institute

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Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70422
PNG
(3-chloranyl-1-(2,4-dimethylphenyl)-4-(2-hydroxyeth...)
Show SMILES Cc1ccc(c(C)c1)-n1c(O)c(Cl)c(NCC=O)c1O
Show InChI InChI=1S/C14H15ClN2O3/c1-8-3-4-10(9(2)7-8)17-13(19)11(15)12(14(17)20)16-5-6-18/h3-4,6-7,16,19-20H,5H2,1-2H3
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n/an/an/an/a 1.08E+4n/an/an/an/a



Broad Institute

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Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM35431
PNG
(MLS000106874 | SMR000111250 | cid_774975)
Show SMILES COc1ccc2noc3-c4ccccc4C(=O)c1c23
Show InChI InChI=1S/C15H9NO3/c1-18-11-7-6-10-12-13(11)14(17)8-4-2-3-5-9(8)15(12)19-16-10/h2-7H,1H3
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n/an/an/an/a 3.61E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM60403
PNG
(1-phenyl-4-pyrazolol | 1-phenylpyrazol-4-ol | MLS0...)
Show SMILES Oc1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C9H8N2O/c12-9-6-10-11(7-9)8-4-2-1-3-5-8/h1-7,12H
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n/an/an/an/a 1.10E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70242
PNG
(6-Amino-4-(2-ethoxy-phenyl)-3-propyl-1,4-dihydro-p...)
Show SMILES CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccccc1OCC
Show InChI InChI=1S/C18H20N4O2/c1-3-7-13-16-15(11-8-5-6-9-14(11)23-4-2)12(10-19)17(20)24-18(16)22-21-13/h5-6,8-9,12,15,20H,3-4,7H2,1-2H3,(H,21,22)
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n/an/an/an/a 9.01E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM31689
PNG
(1'-acetyl-6-amino-3-methyl-5-spiro[2H-pyrano[2,3-c...)
Show SMILES CC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1n[nH]c(C)c21
Show InChI InChI=1S/C14H17N5O2/c1-8-11-13(18-17-8)21-12(16)10(7-15)14(11)3-5-19(6-4-14)9(2)20/h10,16H,3-6H2,1-2H3,(H,17,18)
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n/an/an/an/a 1.36E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM34210
PNG
(3-(3-Chloro-4-morpholin-4-yl-2,5-dioxo-2,5-dihydro...)
Show SMILES COC(=O)c1cccc(c1)N1C(=O)C(Cl)=C(N2CCOCC2)C1=O
Show InChI InChI=1S/C16H15ClN2O5/c1-23-16(22)10-3-2-4-11(9-10)19-14(20)12(17)13(15(19)21)18-5-7-24-8-6-18/h2-4,9H,5-8H2,1H3
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n/an/an/an/a 1.93E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM32008
PNG
(1-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;hy...)
Show SMILES COc1cc(NCCCC(C)N)c2ncccc2c1
Show InChI InChI=1S/C15H21N3O/c1-11(16)5-3-7-17-14-10-13(19-2)9-12-6-4-8-18-15(12)14/h4,6,8-11,17H,3,5,7,16H2,1-2H3
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n/an/an/an/a 420n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70279
PNG
(6-Amino-4-(2,4-dimethoxy-phenyl)-3-propyl-1,4-dihy...)
Show SMILES CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)cc1OC
Show InChI InChI=1S/C18H20N4O3/c1-4-5-13-16-15(11-7-6-10(23-2)8-14(11)24-3)12(9-19)17(20)25-18(16)22-21-13/h6-8,12,15,20H,4-5H2,1-3H3,(H,21,22)
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n/an/an/an/a 4.07E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70290
PNG
((phenylmethyl) 6-azanyl-5-cyano-3-methyl-spiro[2H-...)
Show SMILES Cc1[nH]nc2OC(=N)C(C#N)C3(CCN(CC3)C(=O)OCc3ccccc3)c12
Show InChI InChI=1S/C20H21N5O3/c1-13-16-18(24-23-13)28-17(22)15(11-21)20(16)7-9-25(10-8-20)19(26)27-12-14-5-3-2-4-6-14/h2-6,15,22H,7-10,12H2,1H3,(H,23,24)
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n/an/an/an/a 1.59E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%