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Compile Data Set for Download or QSAR

Found 635 hits of ec50 for UniProtKB: P9WHJ3   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
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/an/an/a<18n/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
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
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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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)		BDBM32061
PNG
(1,8-bis(azanyl)-3,6-dipyrrolidin-1-yl-2,7-naphthyr...)
Show SMILES Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C17H21N7/c18-10-12-11-9-13(23-5-1-2-6-23)21-15(19)14(11)16(20)22-17(12)24-7-3-4-8-24/h9H,1-8H2,(H2,19,21)(H2,20,22)
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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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM70312
PNG
(1-(8-methyl-1,3,4,5-tetrahydropyrid[4,3-b]indol-2-...)
Show SMILES Cc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)CN1CCSCC1
Show InChI InChI=1S/C18H23N3OS/c1-13-2-3-16-14(10-13)15-11-21(5-4-17(15)19-16)18(22)12-20-6-8-23-9-7-20/h2-3,10,19H,4-9,11-12H2,1H3
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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
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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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)		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 |c:8|
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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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)		BDBM70312
PNG
(1-(8-methyl-1,3,4,5-tetrahydropyrid[4,3-b]indol-2-...)
Show SMILES Cc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)CN1CCSCC1
Show InChI InChI=1S/C18H23N3OS/c1-13-2-3-16-14(10-13)15-11-21(5-4-17(15)19-16)18(22)12-20-6-8-23-9-7-20/h2-3,10,19H,4-9,11-12H2,1H3
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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)		BDBM40657
PNG
(2-[(2-hydroxy-5-methyl-anilino)methylene]indane-1,...)
Show SMILES [#6]-c1ccc(-[#8])c(-[#7]\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c1
Show InChI InChI=1S/C17H13NO3/c1-10-6-7-15(19)14(8-10)18-9-13-16(20)11-4-2-3-5-12(11)17(13)21/h2-9,18-19H,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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM32061
PNG
(1,8-bis(azanyl)-3,6-dipyrrolidin-1-yl-2,7-naphthyr...)
Show SMILES Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C17H21N7/c18-10-12-11-9-13(23-5-1-2-6-23)21-15(19)14(11)16(20)22-17(12)24-7-3-4-8-24/h9H,1-8H2,(H2,19,21)(H2,20,22)
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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)		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 |c:8|
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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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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM38656
PNG
(6-amino-4-[3-(1-benzotriazolylmethyl)-4-methoxyphe...)
Show SMILES CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)c(Cn2nnc3ccccc23)c1
Show InChI InChI=1S/C24H23N7O2/c1-3-6-18-22-21(16(12-25)23(26)33-24(22)29-27-18)14-9-10-20(32-2)15(11-14)13-31-19-8-5-4-7-17(19)28-30-31/h4-5,7-11,16,21,26H,3,6,13H2,1-2H3,(H,27,29)
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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
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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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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM40085
PNG
(2-furancarboxylic acid [4-(2,5-dioxo-1-pyrrolidiny...)
Show SMILES Oc1ccc(O)n1-c1ccc(OC(=O)c2ccco2)cc1
Show InChI InChI=1S/C15H11NO5/c17-13-7-8-14(18)16(13)10-3-5-11(6-4-10)21-15(19)12-2-1-9-20-12/h1-9,17-18H
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Broad Institute

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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
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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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
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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Broad Institute

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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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM59672
PNG
(3-(2,4-dimethylphenyl)-1H-pyrazol-5-ol | 5-(2,4-di...)
Show SMILES Cc1ccc(-c2cc(=O)[nH][nH]2)c(C)c1
Show InChI InChI=1S/C11H12N2O/c1-7-3-4-9(8(2)5-7)10-6-11(14)13-12-10/h3-6H,1-2H3,(H2,12,13,14)
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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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM70320
PNG
(6-amino-3-tert-butyl-4-propyl-2,4-dihydropyrano[2,...)
Show SMILES CCCC1C(C#N)C(=N)Oc2n[nH]c(c12)C(C)(C)C
Show InChI InChI=1S/C14H20N4O/c1-5-6-8-9(7-15)12(16)19-13-10(8)11(17-18-13)14(2,3)4/h8-9,16H,5-6H2,1-4H3,(H,17,18)
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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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM59662
PNG
(3-(4-chlorophenyl)-1H-pyrazol-5-ol | 5-(4-chloroph...)
Show SMILES Clc1ccc(cc1)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C9H7ClN2O/c10-7-3-1-6(2-4-7)8-5-9(13)12-11-8/h1-5H,(H2,11,12,13)
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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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM40085
PNG
(2-furancarboxylic acid [4-(2,5-dioxo-1-pyrrolidiny...)
Show SMILES Oc1ccc(O)n1-c1ccc(OC(=O)c2ccco2)cc1
Show InChI InChI=1S/C15H11NO5/c17-13-7-8-14(18)16(13)10-3-5-11(6-4-10)21-15(19)12-2-1-9-20-12/h1-9,17-18H
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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)		BDBM32098
PNG
(3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...)
Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)
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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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM70403
PNG
(6-amino-3-(2-thienyl)-4-(3-thienyl)-1,4-dihydropyr...)
Show SMILES N=C1Oc2[nH]nc(-c3cccs3)c2C(C1C#N)c1ccsc1
Show InChI InChI=1S/C15H10N4OS2/c16-6-9-11(8-3-5-21-7-8)12-13(10-2-1-4-22-10)18-19-15(12)20-14(9)17/h1-5,7,9,11,17H,(H,18,19)
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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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM70366
PNG
(4-(5-keto-3-pyrazolin-3-yl)piperidine-1-carboxylic...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C13H19N3O3/c1-13(2,3)19-12(18)16-6-4-9(5-7-16)10-8-11(17)15-14-10/h8-9H,4-7H2,1-3H3
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n/an/an/an/a 674n/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
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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM59734
PNG
(3-(3-ethoxyphenyl)-1H-pyrazol-5-ol | 5-(3-ethoxyph...)
Show SMILES CCOc1cccc(c1)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C11H12N2O2/c1-2-15-9-5-3-4-8(6-9)10-7-11(14)13-12-10/h3-7H,2H2,1H3,(H2,12,13,14)
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n/an/an/an/a 695n/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
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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM70374
PNG
(2-(4-hydroxyphenyl)-5-methyl-1,2-dihydro-3H-pyrazo...)
Show SMILES Cc1cc(=O)n([nH]1)-c1ccc(O)cc1
Show InChI InChI=1S/C10H10N2O2/c1-7-6-10(14)12(11-7)8-2-4-9(13)5-3-8/h2-6,11,13H,1H3
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n/an/an/an/a 774n/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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM70409
PNG
(2-ethyl-4-methyl-1H-pyrrolo[3,4-c]quinoline-1,3(2H...)
Show SMILES CCN1C(=O)c2c(C1=O)c1ccccc1nc2C
Show InChI InChI=1S/C14H12N2O2/c1-3-16-13(17)11-8(2)15-10-7-5-4-6-9(10)12(11)14(16)18/h4-7H,3H2,1-2H3
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n/an/an/an/a 781n/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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM10379
PNG
(4,7-dimethyl-4,8-diazatricyclo[7.4.0.0^{2,6}]tride...)
Show SMILES CN1C(=O)c2c(C1=O)c1ccccc1nc2C
Show InChI InChI=1S/C13H10N2O2/c1-7-10-11(13(17)15(2)12(10)16)8-5-3-4-6-9(8)14-7/h3-6H,1-2H3
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n/an/an/an/a 794n/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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM41867
PNG
(5-(1-naphthalenyl)-1,2-dihydropyrazol-3-one | 5-(1...)
Show SMILES O=c1cc([nH][nH]1)-c1cccc2ccccc12
Show InChI InChI=1S/C13H10N2O/c16-13-8-12(14-15-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,14,15,16)
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n/an/an/an/a 834n/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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM70266
PNG
((3-Ethoxycarbonylmethylsulfanyl-5-oxo-2,5-dihydro-...)
Show SMILES CCOC(=O)CNc1nnc(SCC(=O)OCC)[nH]c1=O
Show InChI InChI=1S/C11H16N4O5S/c1-3-19-7(16)5-12-9-10(18)13-11(15-14-9)21-6-8(17)20-4-2/h3-6H2,1-2H3,(H,12,14)(H,13,15,18)
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n/an/an/an/a 845n/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
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

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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM59701
PNG
(3-(3,4-dichlorophenyl)-1H-pyrazol-5-ol | 5-(3,4-di...)
Show SMILES Clc1ccc(cc1Cl)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C9H6Cl2N2O/c10-6-2-1-5(3-7(6)11)8-4-9(14)13-12-8/h1-4H,(H2,12,13,14)
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n/an/an/an/a 852n/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
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 998n/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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM39272
PNG
(2-amino-4-(2-thienyl)thiophene-3-carboxamide | 2-a...)
Show SMILES NC(=O)c1c(N)scc1-c1cccs1
Show InChI InChI=1S/C9H8N2OS2/c10-8(12)7-5(4-14-9(7)11)6-2-1-3-13-6/h1-4H,11H2,(H2,10,12)
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n/an/an/an/a 1.02E+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
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/an/an/a 1.03E+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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM70364
PNG
(6-amino-4-(3-furanyl)-3-propyl-2,4-dihydroisoxazol...)
Show SMILES CCCc1noc2N=C(N)C(C#N)C(c3ccoc3)c12 |t:7|
Show InChI InChI=1S/C14H14N4O2/c1-2-3-10-12-11(8-4-5-19-7-8)9(6-15)13(16)17-14(12)20-18-10/h4-5,7,9,11H,2-3H2,1H3,(H2,16,17)
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n/an/an/an/a 1.06E+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
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
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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM32098
PNG
(3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...)
Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)
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n/an/an/an/a 1.12E+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)		BDBM70347
PNG
(6'-amino-1-benzyl-3'-isopropyl-1'H-spi...)
Show SMILES CC(C)c1[nH]nc2OC(=N)C(C#N)C3(CCN(Cc4ccccc4)CC3)c12
Show InChI InChI=1S/C21H25N5O/c1-14(2)18-17-20(25-24-18)27-19(23)16(12-22)21(17)8-10-26(11-9-21)13-15-6-4-3-5-7-15/h3-7,14,16,23H,8-11,13H2,1-2H3,(H,24,25)
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n/an/an/an/a 1.16E+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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM70355
PNG
(4-[6-amino-5-cyano-3-(4-methylphenyl)-1,4-dihydrop...)
Show SMILES Cc1ccc(cc1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1ccc(OC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C25H23N5O4/c1-15-2-4-17(5-3-15)22-21-20(19(14-26)23(27)34-24(21)29-28-22)16-6-8-18(9-7-16)33-25(31)30-10-12-32-13-11-30/h2-9,19-20,27H,10-13H2,1H3,(H,28,29)
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n/an/an/an/a 1.18E+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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM70432
PNG
(4-morpholinecarboxylic acid [3-(6-amino-5-cyano-3-...)
Show SMILES N=C1Oc2[nH]nc(c2C(C1C#N)c1cccc(OC(=O)N2CCOCC2)c1)-c1ccccc1
Show InChI InChI=1S/C24H21N5O4/c25-14-18-19(16-7-4-8-17(13-16)32-24(30)29-9-11-31-12-10-29)20-21(15-5-2-1-3-6-15)27-28-23(20)33-22(18)26/h1-8,13,18-19,26H,9-12H2,(H,27,28)
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n/an/an/an/a 1.19E+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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM70386
PNG
(2-cyano-3-(3-keto-5-methyl-3-pyrazolin-4-yl)-3-(3-...)
Show SMILES COC(=O)C(C#N)C(c1c(C)[nH][nH]c1=O)c1cccnc1
Show InChI InChI=1S/C14H12N4O3/c1-8-11(13(19)18-17-8)12(9-4-3-5-16-7-9)10(6-15)14(20)21-2/h3-5,7,10,12H,1-2H3
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n/an/an/an/a 1.20E+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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM70414
PNG
(6-amino-3-(2,5-dimethyl-3-thienyl)-4-(3-thienyl)-1...)
Show SMILES Cc1cc(c(C)s1)-c1n[nH]c2OC(=N)C(C#N)C(c3ccsc3)c12
Show InChI InChI=1S/C17H14N4OS2/c1-8-5-11(9(2)24-8)15-14-13(10-3-4-23-7-10)12(6-18)16(19)22-17(14)21-20-15/h3-5,7,12-13,19H,1-2H3,(H,20,21)
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n/an/an/an/a 1.20E+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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM70393
PNG
(1-(1,3-benzoxazol-2-ylthio)-4-methylphthalazine | ...)
Show SMILES Cc1nnc(Sc2nc3ccccc3o2)c2ccccc12
Show InChI InChI=1S/C16H11N3OS/c1-10-11-6-2-3-7-12(11)15(19-18-10)21-16-17-13-8-4-5-9-14(13)20-16/h2-9H,1H3
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n/an/an/an/a 1.28E+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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM70352
PNG
(3-[6-amino-5-cyano-3-(4-fluorophenyl)-1,4-dihydrop...)
Show SMILES Fc1ccc(cc1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1cccc(OC(=O)N2CCOCC2)c1
Show InChI InChI=1S/C24H20FN5O4/c25-16-6-4-14(5-7-16)21-20-19(18(13-26)22(27)34-23(20)29-28-21)15-2-1-3-17(12-15)33-24(31)30-8-10-32-11-9-30/h1-7,12,18-19,27H,8-11H2,(H,28,29)
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n/an/an/an/a 1.29E+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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM70258
PNG
(6-amino-1'-benzoyl-3-methyl-5-spiro[2H-pyrano[2,3-...)
Show SMILES Cc1[nH]nc2OC(=N)C(C#N)C3(CCN(CC3)C(=O)c3ccccc3)c12
Show InChI InChI=1S/C19H19N5O2/c1-12-15-17(23-22-12)26-16(21)14(11-20)19(15)7-9-24(10-8-19)18(25)13-5-3-2-4-6-13/h2-6,14,21H,7-10H2,1H3,(H,22,23)
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n/an/an/an/a 1.30E+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
Protein RecA


(Mycobacterium tuberculosis H37Rv)		BDBM59661
PNG
(6-amino-3-(4-methylphenyl)-4-(3-pyridinyl)-2,4-dih...)
Show SMILES Cc1ccc(cc1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1cccnc1
Show InChI InChI=1S/C19H15N5O/c1-11-4-6-12(7-5-11)17-16-15(13-3-2-8-22-10-13)14(9-20)18(21)25-19(16)24-23-17/h2-8,10,14-15,21H,1H3,(H,23,24)
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n/an/an/an/a 1.30E+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
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
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