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Compile Data Set for Download or QSAR

Found 319 hits Enz. Inhib. hit(s) with all data for entry = 4433   
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
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70268
PNG
(6-Amino-4-pyridin-3-yl-3-thiophen-2-yl-1,4-dihydro...)
Show SMILES N=C1Oc2[nH]nc(-c3cccs3)c2C(C1C#N)c1cccnc1
Show InChI InChI=1S/C16H11N5OS/c17-7-10-12(9-3-1-5-19-8-9)13-14(11-4-2-6-23-11)20-21-16(13)22-15(10)18/h1-6,8,10,12,18H,(H,20,21)
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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, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
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 2.94E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70270
PNG
(6-Amino-4-(4-chloro-phenyl)-3-methyl-1,4-dihydro-p...)
Show SMILES Cc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H11ClN4O/c1-7-11-12(8-2-4-9(15)5-3-8)10(6-16)13(17)20-14(11)19-18-7/h2-5,10,12,17H,1H3,(H,18,19)
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n/an/an/an/a 2.89E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM59599
PNG
(6-Amino-3-phenyl-4-pyridin-3-yl-2,4-dihydro-pyrano...)
Show SMILES N=C1Oc2[nH]nc(c2C(C1C#N)c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C18H13N5O/c19-9-13-14(12-7-4-8-21-10-12)15-16(11-5-2-1-3-6-11)22-23-18(15)24-17(13)20/h1-8,10,13-14,20H,(H,22,23)
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n/an/an/an/a 1.72E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70271
PNG
(6-Amino-3-methoxymethyl-4-thiophen-3-yl-1,4-dihydr...)
Show SMILES COCc1n[nH]c2OC(=N)C(C#N)C(c3ccsc3)c12
Show InChI InChI=1S/C13H12N4O2S/c1-18-5-9-11-10(7-2-3-20-6-7)8(4-14)12(15)19-13(11)17-16-9/h2-3,6,8,10,15H,5H2,1H3,(H,16,17)
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n/an/an/an/a 3.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
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 3.15E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70274
PNG
((3,4-Dimethyl-6-oxo-1,6-dihydro-pyrano[2,3-c]pyraz...)
Show SMILES CCOC(=O)Cc1c(C)c2c(C)[nH]nc2oc1=O
Show InChI InChI=1S/C12H14N2O4/c1-4-17-9(15)5-8-6(2)10-7(3)13-14-11(10)18-12(8)16/h4-5H2,1-3H3,(H,13,14)
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n/an/an/an/a 4.86E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM39581
PNG
(6-Amino-4-(4-hydroxy-3-methoxy-phenyl)-3-propyl-1,...)
Show SMILES CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(O)c(OC)c1
Show InChI InChI=1S/C17H18N4O3/c1-3-4-11-15-14(9-5-6-12(22)13(7-9)23-2)10(8-18)16(19)24-17(15)21-20-11/h5-7,10,14,19,22H,3-4H2,1-2H3,(H,20,21)
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n/an/an/an/a 8.22E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70275
PNG
(6-Amino-3,4-dipropyl-2,4-dihydro-pyrano[2,3-c]pyra...)
Show SMILES CCCC1C(C#N)C(=N)Oc2n[nH]c(CCC)c12
Show InChI InChI=1S/C13H18N4O/c1-3-5-8-9(7-14)12(15)18-13-11(8)10(6-4-2)16-17-13/h8-9,15H,3-6H2,1-2H3,(H,16,17)
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n/an/an/an/a 3.48E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70276
PNG
(2-(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-(4,4...)
Show SMILES Cc1ccc2-c3c(ssc3=S)C(C)(C)N(C(=O)CSc3nncn3C)c2c1
Show InChI InChI=1S/C18H18N4OS4/c1-10-5-6-11-12(7-10)22(13(23)8-25-17-20-19-9-21(17)4)18(2,3)15-14(11)16(24)27-26-15/h5-7,9H,8H2,1-4H3
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n/an/an/an/a 1.37E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
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 9.41E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70278
PNG
(6-Amino-5,7,7-tricyano-8-thiophen-2-yl-3,7,8,8a-te...)
Show SMILES CC(C)(C)OC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cccs1 |c:10|
Show InChI InChI=1S/C21H21N5O2S/c1-20(2,3)28-19(27)26-7-6-13-14(9-22)18(25)21(11-23,12-24)17(15(13)10-26)16-5-4-8-29-16/h4-5,8,15,17,25H,6-7,10H2,1-3H3
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n/an/an/an/a 1.01E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
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 1.71E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70281
PNG
(1-(7-Hexyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahyd...)
Show SMILES CCCCCCn1c(nc2n(C)c(=O)n(C)c(=O)c12)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C19H30N6O3/c1-4-5-6-7-10-25-14-16(22(2)19(28)23(3)17(14)27)21-18(25)24-11-8-13(9-12-24)15(20)26/h13H,4-12H2,1-3H3,(H2,20,26)
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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, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70282
PNG
(2-[6-amino-5-cyano-4-(1H-indol-3-yl)-2,4-dihydropy...)
Show SMILES COC(=O)Cc1n[nH]c2OC(=N)C(C#N)C(c3c[nH]c4ccccc34)c12
Show InChI InChI=1S/C18H15N5O3/c1-25-14(24)6-13-16-15(10(7-19)17(20)26-18(16)23-22-13)11-8-21-12-5-3-2-4-9(11)12/h2-5,8,10,15,20-21H,6H2,1H3,(H,22,23)
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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, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
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 |t:5|
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 4.27E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70283
PNG
(6-Amino-4-[3-methoxy-4-(2-morpholin-4-yl-ethoxy)-p...)
Show SMILES CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OCCN2CCOCC2)c(OC)c1
Show InChI InChI=1S/C23H29N5O4/c1-3-4-17-21-20(16(14-24)22(25)32-23(21)27-26-17)15-5-6-18(19(13-15)29-2)31-12-9-28-7-10-30-11-8-28/h5-6,13,16,20,25H,3-4,7-12H2,1-2H3,(H,26,27)
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n/an/an/an/a 6.37E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70285
PNG
(6-Amino-4-furan-3-yl-3-methyl-1-p-tolyl-1,4-dihydr...)
Show SMILES Cc1nn(c2OC(=N)C(C#N)C(c3ccoc3)c12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H16N4O2/c1-11-3-5-14(6-4-11)23-19-16(12(2)22-23)17(13-7-8-24-10-13)15(9-20)18(21)25-19/h3-8,10,15,17,21H,1-2H3
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n/an/an/an/a 4.54E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM48998
PNG
(6-Amino-4-(5-methyl-thiophen-2-yl)-3-thiophen-2-yl...)
Show SMILES Cc1ccc(s1)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12
Show InChI InChI=1S/C16H12N4OS2/c1-8-4-5-10(23-8)12-9(7-17)15(18)21-16-13(12)14(19-20-16)11-3-2-6-22-11/h2-6,9,12,18H,1H3,(H,19,20)
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n/an/an/an/a 8.81E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70286
PNG
(6-Amino-4-[3-ethoxy-4-(2-morpholin-4-yl-ethoxy)-ph...)
Show SMILES CCOc1cc(ccc1OCCN1CCOCC1)C1C(C#N)C(=N)Oc2n[nH]c(CC)c12
Show InChI InChI=1S/C23H29N5O4/c1-3-17-21-20(16(14-24)22(25)32-23(21)27-26-17)15-5-6-18(19(13-15)30-4-2)31-12-9-28-7-10-29-11-8-28/h5-6,13,16,20,25H,3-4,7-12H2,1-2H3,(H,26,27)
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n/an/an/an/a 4.55E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70287
PNG
(MLS000073782 | N-(5-Isopropyl-[1,3,4]thiadiazol-2-...)
Show SMILES CC(C)c1nnc(NC(=O)CCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)-c2cccs2)s1
Show InChI InChI=1S/C17H16F3N5O3S3/c1-9(2)14-24-25-15(30-14)23-13(26)5-7-31(27,28)16-21-10(11-4-3-6-29-11)8-12(22-16)17(18,19)20/h3-4,6,8-9H,5,7H2,1-2H3,(H,23,25,26)
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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, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70288
PNG
((Z)-3-(butylthio)-2-cyano-3-(4,5,6,7-tetrahydro-1H...)
Show SMILES CCCCS\C(=C(\C#N)C(N)=O)c1cc2CCCCc2[nH]1
Show InChI InChI=1S/C16H21N3OS/c1-2-3-8-21-15(12(10-17)16(18)20)14-9-11-6-4-5-7-13(11)19-14/h9,19H,2-8H2,1H3,(H2,18,20)/b15-12-
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n/an/an/an/a 9.25E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70289
PNG
(6-Amino-4-(7-methoxy-benzo[1,3]dioxol-5-yl)-3-meth...)
Show SMILES COc1cc(cc2OCOc12)C1C(C#N)C(=N)Oc2n[nH]c(C)c12
Show InChI InChI=1S/C16H14N4O4/c1-7-12-13(9(5-17)15(18)24-16(12)20-19-7)8-3-10(21-2)14-11(4-8)22-6-23-14/h3-4,9,13,18H,6H2,1-2H3,(H,19,20)
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n/an/an/an/a 4.94E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM61399
PNG
(MLS000071807 | SMR000003886 | [4-(2-Cyclopropyl-5,...)
Show SMILES O=C(N1CCN(CC1)c1nc(nc2sc3CCCCc3c12)C1CC1)c1ccco1
Show InChI InChI=1S/C22H24N4O2S/c27-22(16-5-3-13-28-16)26-11-9-25(10-12-26)20-18-15-4-1-2-6-17(15)29-21(18)24-19(23-20)14-7-8-14/h3,5,13-14H,1-2,4,6-12H2
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n/an/an/an/a 1.37E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
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 2.98E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70291
PNG
(2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [3...)
Show SMILES CCN1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C21H24ClN3O3/c1-2-24-8-10-25(11-9-24)20-16(22)4-3-5-17(20)23-21(26)15-6-7-18-19(14-15)28-13-12-27-18/h3-7,14H,2,8-13H2,1H3,(H,23,26)
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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, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70292
PNG
(MLS000075597 | N-(4-Dimethylamino-naphthalen-1-yl)...)
Show SMILES CN(C)c1ccc(NC(=O)c2ccncc2)c2ccccc12
Show InChI InChI=1S/C18H17N3O/c1-21(2)17-8-7-16(14-5-3-4-6-15(14)17)20-18(22)13-9-11-19-12-10-13/h3-12H,1-2H3,(H,20,22)
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n/an/an/an/a 1.29E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM39911
PNG
(2-(3-Cyano-6-methyl-5,6,7,8-tetrahydro-[1,6]naphth...)
Show SMILES CN1CCc2nc(SCC(=O)Nc3ccc(F)cc3)c(cc2C1)C#N
Show InChI InChI=1S/C18H17FN4OS/c1-23-7-6-16-13(10-23)8-12(9-20)18(22-16)25-11-17(24)21-15-4-2-14(19)3-5-15/h2-5,8H,6-7,10-11H2,1H3,(H,21,24)
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n/an/an/an/a 9.67E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
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 1.75E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70293
PNG
(17-alpha-hydroxy-progesterone caproate | HYDROXYPR...)
Show SMILES CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:15|
Show InChI InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1
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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, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM31772
PNG
(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
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n/an/an/an/a 2.36E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70294
PNG
(BROMOCRIPTINE MESYLATE | MLS000069543 | SMR0000587...)
Show SMILES CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)C4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:41|
Show InChI InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23?,24+,25+,31-,32+;/m1./s1
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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, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM50304148
PNG
(1H-Indazol-5-ylamine | 1H-indazol-5-amine | CHEMBL...)
Show SMILES Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10)
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n/an/an/an/a 4.86E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM38550
PNG
(3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE | 5-methyl-2-p...)
Show SMILES Cc1cc(=O)n([nH]1)-c1ccccc1
Show InChI InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3
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n/an/an/an/a 3.10E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
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 2.16E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70295
PNG
(2,2-DICHLORO-N-[4-HYDROXYPHENYL]-N-METHYLACETAMIDE...)
Show SMILES CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1
Show InChI InChI=1S/C14H11Cl2NO4/c1-17(13(18)12(15)16)9-4-6-10(7-5-9)21-14(19)11-3-2-8-20-11/h2-8,12H,1H3
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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, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM31770
PNG
(Exelderm | Sulconazole Nitrate | cid_65495 | sulco...)
Show SMILES Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2S/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 2.31E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM14754
PNG
(1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...)
Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
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n/an/an/an/a 7.30E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70297
PNG
(6-Amino-3-methoxymethyl-4-(2-methoxy-phenyl)-2,4-d...)
Show SMILES COCc1n[nH]c2OC(=N)C(C#N)C(c12)c1ccccc1OC
Show InChI InChI=1S/C16H16N4O3/c1-21-8-11-14-13(9-5-3-4-6-12(9)22-2)10(7-17)15(18)23-16(14)20-19-11/h3-6,10,13,18H,8H2,1-2H3,(H,19,20)
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n/an/an/an/a 4.46E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70298
PNG
(6-amino-3-(methoxymethyl)-4-(3-methoxyphenyl)-2,4-...)
Show SMILES COCc1n[nH]c2OC(=N)C(C#N)C(c12)c1cccc(OC)c1
Show InChI InChI=1S/C16H16N4O3/c1-21-8-12-14-13(9-4-3-5-10(6-9)22-2)11(7-17)15(18)23-16(14)20-19-12/h3-6,11,13,18H,8H2,1-2H3,(H,19,20)
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n/an/an/an/a 1.06E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70299
PNG
(6-amino-4-(3-methoxyphenyl)-3-propyl-2,4-dihydropy...)
Show SMILES CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1cccc(OC)c1
Show InChI InChI=1S/C17H18N4O2/c1-3-5-13-15-14(10-6-4-7-11(8-10)22-2)12(9-18)16(19)23-17(15)21-20-13/h4,6-8,12,14,19H,3,5H2,1-2H3,(H,20,21)
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n/an/an/an/a 3.80E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM34573
PNG
((1-oxidospiro[benzimidazol-1-ium-2,1'-cyclohexane]...)
Show SMILES [O-][N+]1=c2ccc(Nc3ccccc3)cc2=NC11CCCCC1 |c:1,16|
Show InChI InChI=1S/C18H19N3O/c22-21-17-10-9-15(19-14-7-3-1-4-8-14)13-16(17)20-18(21)11-5-2-6-12-18/h1,3-4,7-10,13,19H,2,5-6,11-12H2
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PCBioAssay
n/an/an/an/a 1.10E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70300
PNG
(6-amino-3-(methoxymethyl)-4-(4-methoxyphenyl)-2,4-...)
Show SMILES COCc1n[nH]c2OC(=N)C(C#N)C(c12)c1ccc(OC)cc1
Show InChI InChI=1S/C16H16N4O3/c1-21-8-12-14-13(9-3-5-10(22-2)6-4-9)11(7-17)15(18)23-16(14)20-19-12/h3-6,11,13,18H,8H2,1-2H3,(H,19,20)
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n/an/an/an/a 4.25E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM48321
PNG
(7-methyl-7-(4-morpholinyl)-6-oxido-5,8-dihydro-4H-...)
Show SMILES CC1(CC2(O)C(CCc3nonc23)=[N+]1[O-])N1CCOCC1 |c:14|
Show InChI InChI=1S/C13H18N4O4/c1-12(16-4-6-20-7-5-16)8-13(18)10(17(12)19)3-2-9-11(13)15-21-14-9/h18H,2-8H2,1H3
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n/an/an/an/a 2.49E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70301
PNG
(6-amino-4-(2,4-difluorophenyl)-3-methyl-1-phenyl-4...)
Show SMILES Cc1nn(c2OC(=N)C(C#N)C(c12)c1ccc(F)cc1F)-c1ccccc1
Show InChI InChI=1S/C20H14F2N4O/c1-11-17-18(14-8-7-12(21)9-16(14)22)15(10-23)19(24)27-20(17)26(25-11)13-5-3-2-4-6-13/h2-9,15,18,24H,1H3
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n/an/an/an/a 3.90E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70302
PNG
(3-methyl-5-[2-(3-methylphenoxy)ethyl]-1,3,5-thiadi...)
Show SMILES CN1CN(CCOc2cccc(C)c2)CSC1=S
Show InChI InChI=1S/C13H18N2OS2/c1-11-4-3-5-12(8-11)16-7-6-15-9-14(2)13(17)18-10-15/h3-5,8H,6-7,9-10H2,1-2H3
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PCBioAssay
n/an/an/an/a 4.60E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM60357
PNG
(4,4-dimethyl-8-oxidanyl-5H-[1,2]dithiolo[3,4-c]qui...)
Show SMILES CC1(C)Nc2ccc(O)cc2-c2c1ssc2=S
Show InChI InChI=1S/C12H11NOS3/c1-12(2)10-9(11(15)17-16-10)7-5-6(14)3-4-8(7)13-12/h3-5,13-14H,1-2H3
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n/an/an/an/a 2.42E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM59607
PNG
(2-[(3-keto-5-phenyl-3-pyrazolin-4-yl)-(3-thienyl)m...)
Show SMILES O=c1[nH][nH]c(c1C(C(C#N)C#N)c1ccsc1)-c1ccccc1
Show InChI InChI=1S/C17H12N4OS/c18-8-13(9-19)14(12-6-7-23-10-12)15-16(20-21-17(15)22)11-4-2-1-3-5-11/h1-7,10,13-14H,(H2,20,21,22)
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PCBioAssay
n/an/an/an/a 7.57E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70303
PNG
(2-[(3-cyclohexyl-4-keto-7-methyl-6,8-dihydro-5H-py...)
Show SMILES COC(=O)CSc1nc2sc3CN(C)CCc3c2c(=O)n1C1CCCCC1
Show InChI InChI=1S/C19H25N3O3S2/c1-21-9-8-13-14(10-21)27-17-16(13)18(24)22(12-6-4-3-5-7-12)19(20-17)26-11-15(23)25-2/h12H,3-11H2,1-2H3
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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, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70304
PNG
(6-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl...)
Show SMILES COc1ccc(cc1CSc1ccccn1)C1C(C#N)C(=N)Oc2n[nH]c(C)c12
Show InChI InChI=1S/C21H19N5O2S/c1-12-18-19(15(10-22)20(23)28-21(18)26-25-12)13-6-7-16(27-2)14(9-13)11-29-17-5-3-4-8-24-17/h3-9,15,19,23H,11H2,1-2H3,(H,25,26)
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n/an/an/an/a 1.72E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair
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