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Found 338 hits Enz. Inhib. hit(s) with Target = 'MSRA protein' AND taxid = 9913   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MSRA protein


(Bos taurus)
BDBM95464
PNG
(4-[[(4Z)-1-keto-4-(2-thienylsulfonylimino)-2-napht...)
Show SMILES OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C21H14N2O5S2/c24-20-16-5-2-1-4-15(16)17(23-30(27,28)19-6-3-11-29-19)12-18(20)22-14-9-7-13(8-10-14)21(25)26/h1-12,22H,(H,25,26)
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n/an/a 4.82E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM48035
PNG
(4-[[(4E)-4-(4-ethylphenyl)sulfonylimino-1-keto-2-n...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(cc2)C(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C25H20N2O5S/c1-2-16-7-13-19(14-8-16)33(31,32)27-22-15-23(24(28)21-6-4-3-5-20(21)22)26-18-11-9-17(10-12-18)25(29)30/h3-15,26H,2H2,1H3,(H,29,30)
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n/an/a 5.00E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM33185
PNG
(4-({(4Z)-1-oxo-4-[(phenylsulfonyl)imino]-1,4-dihyd...)
Show SMILES OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C23H16N2O5S/c26-22-19-9-5-4-8-18(19)20(25-31(29,30)17-6-2-1-3-7-17)14-21(22)24-16-12-10-15(11-13-16)23(27)28/h1-14,24H,(H,27,28)
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n/an/a 6.42E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM71187
PNG
(2-arsonobenzoic acid | MLS000737788 | SMR000528162...)
Show SMILES OC(=O)c1ccccc1[As](O)(O)=O
Show InChI InChI=1S/C7H7AsO5/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4H,(H,9,10)(H2,11,12,13)
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n/an/a 6.42E+3n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM40322
PNG
(2-(1-benzotriazolyl)-3-(4-morpholinyl)naphthalene-...)
Show SMILES O=C1C(N2CCOCC2)=C(C(=O)c2ccccc12)n1nnc2ccccc12
Show InChI InChI=1S/C20H16N4O3/c25-19-13-5-1-2-6-14(13)20(26)18(17(19)23-9-11-27-12-10-23)24-16-8-4-3-7-15(16)21-22-24/h1-8H,9-12H2
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n/an/a 9.33E+3n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM66635
PNG
(MLS000737122 | SMR000528383 | [4-[(2Z)-2-(4-amino-...)
Show SMILES CSc1nc(N)c(N=Nc2ccc(cc2)[As](O)(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C11H12AsN5O4S/c1-22-11-14-9(13)8(10(18)15-11)17-16-7-4-2-6(3-5-7)12(19,20)21/h2-5H,1H3,(H2,19,20,21)(H3,13,14,15,18)/b17-16+
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n/an/a 9.91E+3n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM88680
PNG
(1,2-bis(diethoxyphosphoryl)ethane;dichloro(diethyl...)
Show SMILES CCOP(=O)(CCP(=O)(OCC)OCC)OCC
Show InChI InChI=1S/C10H24O6P2/c1-5-13-17(11,14-6-2)9-10-18(12,15-7-3)16-8-4/h5-10H2,1-4H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM71178
PNG
(4-(3-Benzotriazol-1-yl-1,4-dioxo-1,4-dihydro-napht...)
Show SMILES OC(=O)c1ccc(NC2=C(C(=O)c3ccccc3C2=O)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C23H14N4O4/c28-21-15-5-1-2-6-16(15)22(29)20(27-18-8-4-3-7-17(18)25-26-27)19(21)24-14-11-9-13(10-12-14)23(30)31/h1-12,24H,(H,30,31)
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n/an/a 1.16E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM58032
PNG
(2-(1,3-Dioxo-indan-2-yl)-2-(2-methyl-1H-indol-3-yl...)
Show SMILES Cc1[nH]c2ccccc2c1C(C#N)(C#N)C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H13N3O2/c1-12-17(15-8-4-5-9-16(15)24-12)21(10-22,11-23)18-19(25)13-6-2-3-7-14(13)20(18)26/h2-9,18,24H,1H3
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n/an/a 1.21E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM51902
PNG
(MLS001203758 | N-(4-Fluoro-benzylidene)-N'-(6-...)
Show SMILES COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1
Show InChI InChI=1S/C18H16FN3O/c1-12-9-18(16-10-15(23-2)7-8-17(16)21-12)22-20-11-13-3-5-14(19)6-4-13/h3-10H,11H2,1-2H3
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n/an/a 1.28E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM68012
PNG
(2-benzoyl-3-phenyl-1,4-naphthoquinone | 2-benzoyl-...)
Show SMILES O=C(C1=C(C(=O)c2ccccc2C1=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H14O3/c24-21(16-11-5-2-6-12-16)20-19(15-9-3-1-4-10-15)22(25)17-13-7-8-14-18(17)23(20)26/h1-14H
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n/an/a 1.38E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM48030
PNG
(4-[(E)-[3-(2-fluoroanilino)-4-keto-1-naphthylidene...)
Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccccc2F)C(=O)c2ccccc12
Show InChI InChI=1S/C23H15FN2O5S/c24-18-7-3-4-8-19(18)25-21-13-20(16-5-1-2-6-17(16)22(21)27)26-32(30,31)15-11-9-14(10-12-15)23(28)29/h1-13,25H,(H,28,29)
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n/an/a 1.42E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM47968
PNG
(MLS000686315 | N-[4-({(4Z)-1-oxo-4-[(thien-2-ylsul...)
Show SMILES CC(=O)Nc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C22H17N3O4S2/c1-14(26)23-15-8-10-16(11-9-15)24-20-13-19(17-5-2-3-6-18(17)22(20)27)25-31(28,29)21-7-4-12-30-21/h2-13,24H,1H3,(H,23,26)
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n/an/a 1.43E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM71232
PNG
(3-(3-Benzotriazol-1-yl-1,4-dioxo-1,4-dihydro-napht...)
Show SMILES OC(=O)c1cccc(NC2=C(C(=O)c3ccccc3C2=O)n2nnc3ccccc23)c1
Show InChI InChI=1S/C23H14N4O4/c28-21-15-8-1-2-9-16(15)22(29)20(27-18-11-4-3-10-17(18)25-26-27)19(21)24-14-7-5-6-13(12-14)23(30)31/h1-12,24H,(H,30,31)
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n/an/a 3.14E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM91505
PNG
(2-(4-nitrophenyl)-3,5-diphenyl-1,2,3,4-tetrazol-2-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-[n+]1nc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H14N5O2/c25-24(26)18-13-11-17(12-14-18)23-21-19(15-7-3-1-4-8-15)20-22(23)16-9-5-2-6-10-16/h1-14H/q+1
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n/an/a 3.59E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM48028
PNG
(3-[[(4E)-1-keto-4-tosylimino-2-naphthyl]amino]benz...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C24H18N2O5S/c1-15-9-11-18(12-10-15)32(30,31)26-21-14-22(23(27)20-8-3-2-7-19(20)21)25-17-6-4-5-16(13-17)24(28)29/h2-14,25H,1H3,(H,28,29)
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n/an/a 4.24E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM93495
PNG
((4-chlorophenyl) 3-methyl-5-nitro-imidazole-4-sulf...)
Show SMILES Cn1cnc(c1S(=O)(=O)Oc1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H8ClN3O5S/c1-13-6-12-9(14(15)16)10(13)20(17,18)19-8-4-2-7(11)3-5-8/h2-6H,1H3
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n/an/a 4.28E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM48027
PNG
(4-[[(4E)-1-keto-4-mesitylsulfonylimino-2-naphthyl]...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N=C1C=C(Nc2ccc(cc2)C(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C26H22N2O5S/c1-15-12-16(2)25(17(3)13-15)34(32,33)28-22-14-23(24(29)21-7-5-4-6-20(21)22)27-19-10-8-18(9-11-19)26(30)31/h4-14,27H,1-3H3,(H,30,31)
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n/an/a 4.48E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM71076
PNG
(1,1,3-trimethyl-N-[(E)-1-(methylthio)-2-nitroethen...)
Show SMILES CS\C([CH-][N+]([O-])=O)=[NH+]/c1cccc2c1C(C)CC2(C)C
Show InChI InChI=1S/C15H19N2O2S/c1-10-8-15(2,3)11-6-5-7-12(14(10)11)16-13(20-4)9-17(18)19/h5-7,9-10H,8H2,1-4H3/q-1/p+1/b16-13-
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n/an/a 4.48E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95410
PNG
(1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-ben...)
Show SMILES Nc1nc2ccccc2n1\N=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C15H12N4O2/c16-15-18-11-3-1-2-4-12(11)19(15)17-8-10-5-6-13-14(7-10)21-9-20-13/h1-8H,9H2,(H2,16,18)/b17-8+
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n/an/a 4.56E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM50202318
PNG
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
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n/an/a 4.78E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95457
PNG
(3-methyl-5-nitro-4-imidazolesulfonic acid phenyl e...)
Show SMILES Cn1cnc(c1S(=O)(=O)Oc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C10H9N3O5S/c1-12-7-11-9(13(14)15)10(12)19(16,17)18-8-5-3-2-4-6-8/h2-7H,1H3
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n/an/a 4.80E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM63836
PNG
(Isonicotinic acid [(E)-3-benzo[1,3]dioxol-5-yl-1-m...)
Show SMILES CC(C=Cc1ccc2OCOc2c1)=NNC(=O)c1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-12(19-20-17(21)14-6-8-18-9-7-14)2-3-13-4-5-15-16(10-13)23-11-22-15/h2-10H,11H2,1H3,(H,20,21)
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n/an/a>5.17E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95458
PNG
(3-methyl-5-nitro-N-phenyl-4-imidazolesulfonamide |...)
Show SMILES Cn1cnc(c1S(=O)(=O)Nc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C10H10N4O4S/c1-13-7-11-9(14(15)16)10(13)19(17,18)12-8-5-3-2-4-6-8/h2-7,12H,1H3
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n/an/a 5.28E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95399
PNG
(1'H-spiro[cyclopentane-1,2'-quinazoline]-4...)
Show SMILES S=C1NC2(CCCC2)Nc2ccccc12
Show InChI InChI=1S/C12H14N2S/c15-11-9-5-1-2-6-10(9)13-12(14-11)7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2,(H,14,15)
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n/an/a 5.36E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM50202318
PNG
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)
Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O
Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
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n/an/a 5.39E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM48038
PNG
(4-[(E)-[3-(2-methylanilino)-4-oxo-1-naphthalenylid...)
Show SMILES Cc1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O
Show InChI InChI=1S/C24H18N2O5S/c1-15-6-2-5-9-20(15)25-22-14-21(18-7-3-4-8-19(18)23(22)27)26-32(30,31)17-12-10-16(11-13-17)24(28)29/h2-14,25H,1H3,(H,28,29)
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n/an/a 6.24E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM71037
PNG
(2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzo...)
Show SMILES Cc1oc2c(c1C(=O)N1CCOCC1)C(=O)c1ccccc1C2=O
Show InChI InChI=1S/C18H15NO5/c1-10-13(18(22)19-6-8-23-9-7-19)14-15(20)11-4-2-3-5-12(11)16(21)17(14)24-10/h2-5H,6-9H2,1H3
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n/an/a 6.43E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95389
PNG
(2-(7-Morpholin-4-yl-4-nitro-benzo[1,2,5]oxadiazol-...)
Show SMILES [O-]c1ccccc1Nc1cc(N2CCOCC2)c2[nH+]onc2c1[N+]([O-])=O
Show InChI InChI=1S/C16H15N5O5/c22-13-4-2-1-3-10(13)17-11-9-12(20-5-7-25-8-6-20)14-15(19-26-18-14)16(11)21(23)24/h1-4,9,17,22H,5-8H2
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n/an/a 6.77E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM48039
PNG
(3-[[(4E)-4-(2,4-dimethylphenyl)sulfonylimino-1-ket...)
Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C25H20N2O5S/c1-15-10-11-23(16(2)12-15)33(31,32)27-21-14-22(24(28)20-9-4-3-8-19(20)21)26-18-7-5-6-17(13-18)25(29)30/h3-14,26H,1-2H3,(H,29,30)
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n/an/a 7.45E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM93697
PNG
(MLS001181286 | SMR000502433 | cid_3897207)
Show SMILES CC(=O)Nn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(NC(C)=O)c3=O
Show InChI InChI=1S/C18H12N4O6/c1-7(23)19-21-15(25)9-3-5-11-14-12(6-4-10(13(9)14)16(21)26)18(28)22(17(11)27)20-8(2)24/h3-6H,1-2H3,(H,19,23)(H,20,24)
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n/an/a 7.68E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95394
PNG
(3-(1-{[3-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]me...)
Show SMILES COc1ccc2cc(ccc2c1)-c1n[nH]cc1CN1CCCC1c1nonc1C
Show InChI InChI=1S/C22H23N5O2/c1-14-21(26-29-25-14)20-4-3-9-27(20)13-18-12-23-24-22(18)17-6-5-16-11-19(28-2)8-7-15(16)10-17/h5-8,10-12,20H,3-4,9,13H2,1-2H3,(H,23,24)
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n/an/a 8.55E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95386
PNG
(4-[(9,10-diketo-2-anthryl)sulfonylamino]benzoic ac...)
Show SMILES OC(=O)c1ccc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)cc1
Show InChI InChI=1S/C21H13NO6S/c23-19-15-3-1-2-4-16(15)20(24)18-11-14(9-10-17(18)19)29(27,28)22-13-7-5-12(6-8-13)21(25)26/h1-11,22H,(H,25,26)
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n/an/a 9.12E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95426
PNG
(2-(2-keto-8-methyl-4-phenyl-chromen-7-yl)oxy-N,N-d...)
Show SMILES CN(C)C(=O)COc1ccc2c(cc(=O)oc2c1C)-c1ccccc1
Show InChI InChI=1S/C20H19NO4/c1-13-17(24-12-18(22)21(2)3)10-9-15-16(11-19(23)25-20(13)15)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
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n/an/a 9.36E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95462
PNG
((2E,4E,6E,8E)-10-[[5-methoxy-4-[2-methyl-3-(3-meth...)
Show SMILES COC1C(CCC2(CO2)C1C1(C)OC1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O
Show InChI InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+
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n/an/a 9.45E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM50195854
PNG
(CHEMBL220517 | NSC-102359 | cid_3280136)
Show SMILES CCOP(=O)(Nc1ccc-2c(c1)C(=NNC(N)=S)c1ccccc-21)OCC
Show InChI InChI=1S/C18H21N4O3PS/c1-3-24-26(23,25-4-2)22-12-9-10-14-13-7-5-6-8-15(13)17(16(14)11-12)20-21-18(19)27/h5-11H,3-4H2,1-2H3,(H,22,23)(H3,19,21,27)
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n/an/a 9.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95371
PNG
((4-Oxo-2-{[(E)-3-phenyl-prop-2-en-(E)-ylidene]-hyd...)
Show SMILES OC(=O)Cc1sc(N=NC=CCc2ccccc2)nc1O
Show InChI InChI=1S/C14H13N3O3S/c18-12(19)9-11-13(20)16-14(21-11)17-15-8-4-7-10-5-2-1-3-6-10/h1-6,8,20H,7,9H2,(H,18,19)
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n/an/a 9.75E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95365
PNG
(2-Chloro-5-(5-{[2-(3-cyano-4-methoxymethyl-6-methy...)
Show SMILES COCc1cc(C)n(CC(=O)N\N=C\c2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)c(=O)c1C#N
Show InChI InChI=1S/C23H19ClN4O6/c1-13-7-15(12-33-2)18(9-25)22(30)28(13)11-21(29)27-26-10-16-4-6-20(34-16)14-3-5-19(24)17(8-14)23(31)32/h3-8,10H,11-12H2,1-2H3,(H,27,29)(H,31,32)/b26-10+
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n/an/a 9.94E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95358
PNG
(1-Methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic a...)
Show SMILES COc1cc(OC)c(\C=N\NC(=O)c2ccc(=O)n(C)c2)cc1OC
Show InChI InChI=1S/C17H19N3O5/c1-20-10-11(5-6-16(20)21)17(22)19-18-9-12-7-14(24-3)15(25-4)8-13(12)23-2/h5-10H,1-4H3,(H,19,22)/b18-9+
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n/an/a 1.02E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95419
PNG
((4-{2-[2-(benzoylamino)-5-phenyl-2,4-pentadienoyl]...)
Show SMILES OC(=O)COc1ccc(\C=N\NC(=O)C(\NC(=O)c2ccccc2)=C\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C27H23N3O5/c31-25(32)19-35-23-16-14-21(15-17-23)18-28-30-27(34)24(13-7-10-20-8-3-1-4-9-20)29-26(33)22-11-5-2-6-12-22/h1-18H,19H2,(H,29,33)(H,30,34)(H,31,32)/b10-7+,24-13-,28-18+
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n/an/a 1.03E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95459
PNG
(1,2-bis(3,4-dihydroxyphenyl)ethane-1,2-dione | 1,2...)
Show SMILES Oc1ccc(cc1O)C(=O)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C14H10O6/c15-9-3-1-7(5-11(9)17)13(19)14(20)8-2-4-10(16)12(18)6-8/h1-6,15-18H
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n/an/a 1.12E+5n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95355
PNG
(4-((E)-{[(4-{[(2E)-2-(4-carboxybenzylidene)hydrazi...)
Show SMILES Cc1[nH]c(C(=O)N\N=C\c2ccc(cc2)C(O)=O)c(C)c1C(=O)N\N=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H21N5O6/c1-13-19(21(30)28-25-11-15-3-7-17(8-4-15)23(32)33)14(2)27-20(13)22(31)29-26-12-16-5-9-18(10-6-16)24(34)35/h3-12,27H,1-2H3,(H,28,30)(H,29,31)(H,32,33)(H,34,35)/b25-11+,26-12+
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n/an/a 1.14E+5n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95385
PNG
(2-N,5-N-bis[(E)-furan-2-ylmethylideneamino]furan-2...)
Show SMILES O=C(N\N=C\c1ccco1)c1ccc(o1)C(=O)N\N=C\c1ccco1
Show InChI InChI=1S/C16H12N4O5/c21-15(19-17-9-11-3-1-7-23-11)13-5-6-14(25-13)16(22)20-18-10-12-4-2-8-24-12/h1-10H,(H,19,21)(H,20,22)/b17-9+,18-10+
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n/an/a 1.14E+5n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95316
PNG
(2-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)prop...)
Show SMILES CCCCCOC(=O)C(C)c1c(C)[nH]c(=S)[nH]c1=O
Show InChI InChI=1S/C13H20N2O3S/c1-4-5-6-7-18-12(17)8(2)10-9(3)14-13(19)15-11(10)16/h8H,4-7H2,1-3H3,(H2,14,15,16,19)
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n/an/a 1.15E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95372
PNG
(MLS000722032 | SMR000236709 | cid_16428461 | sodiu...)
Show SMILES Oc1nc(N=NC=CCc2ccccc2)sc1CC([O-])=O
Show InChI InChI=1S/C14H13N3O3S/c18-12(19)9-11-13(20)16-14(21-11)17-15-8-4-7-10-5-2-1-3-6-10/h1-6,8,20H,7,9H2,(H,18,19)/p-1
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n/an/a 1.18E+5n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95445
PNG
(3-[2,4-dinitro-5-(1-piperidinylamino)phenoxy]-2-et...)
Show SMILES CCc1occc(=O)c1Oc1cc(NN2CCCCC2)c(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C18H20N4O7/c1-2-16-18(15(23)6-9-28-16)29-17-10-12(19-20-7-4-3-5-8-20)13(21(24)25)11-14(17)22(26)27/h6,9-11,19H,2-5,7-8H2,1H3
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n/an/a 1.19E+5n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95391
PNG
(2-chloro-5-(5-{[(3,5-dioxo-4-azatetracyclo[5.3.2.0...)
Show SMILES OC(=O)c1cc(ccc1Cl)-c1ccc(\C=N\N2C(=O)C3C(C4C=CC3C3CC43)C2=O)o1
Show InChI InChI=1S/C23H17ClN2O5/c24-17-5-1-10(7-16(17)23(29)30)18-6-2-11(31-18)9-25-26-21(27)19-12-3-4-13(15-8-14(12)15)20(19)22(26)28/h1-7,9,12-15,19-20H,8H2,(H,29,30)/b25-9+
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n/an/a 1.22E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95383
PNG
(3-nitro-4-(1-phenylethylamino)-1-benzopyran-2-one ...)
Show SMILES CC(Nc1c([N+]([O-])=O)c(=O)oc2ccccc12)c1ccccc1
Show InChI InChI=1S/C17H14N2O4/c1-11(12-7-3-2-4-8-12)18-15-13-9-5-6-10-14(13)23-17(20)16(15)19(21)22/h2-11,18H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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PCBioAssay
n/an/a 1.25E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95396
PNG
(5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amin...)
Show SMILES Cc1ccc(o1)C(=O)N\N=C\C=C\c1ccccc1
Show InChI InChI=1S/C15H14N2O2/c1-12-9-10-14(19-12)15(18)17-16-11-5-8-13-6-3-2-4-7-13/h2-11H,1H3,(H,17,18)/b8-5+,16-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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n/an/a 1.34E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM95342
PNG
((E,4Z)-4-[amino-[4-(4-methoxyphenyl)-1-piperazinyl...)
Show SMILES CCOC(=O)C(C=C(C(=O)OCC)C(=N)N1CCN(CC1)c1ccc(OC)cc1)C#N
Show InChI InChI=1S/C22H28N4O5/c1-4-30-21(27)16(15-23)14-19(22(28)31-5-2)20(24)26-12-10-25(11-13-26)17-6-8-18(29-3)9-7-17/h6-9,14,16,24H,4-5,10-13H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
PCBioAssay
n/an/a 1.39E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
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