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Compile Data Set for Download or QSAR

Found 111 hits of ec50 data for polymerid = 49001200   
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
MSRA protein


(Bos taurus)
BDBM53102
PNG
(MLS001164912 | N,10-dimethyl-2-phenazin-10-iumamin...)
Show SMILES C\[NH+]=c1/ccc2nc3ccccc3n(C)c2c1
Show InChI InChI=1S/C14H13N3/c1-15-10-7-8-12-14(9-10)17(2)13-6-4-3-5-11(13)16-12/h3-9H,1-2H3/p+1/b15-10+
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n/an/an/an/a 2.13E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM71365
PNG
(2-[(10-methyl-2-phenazin-10-iumyl)amino]ethanol;pe...)
Show SMILES Cn1c2ccccc2nc2cc\c(cc12)=[NH+]/CCO
Show InChI InChI=1S/C15H15N3O/c1-18-14-5-3-2-4-12(14)17-13-7-6-11(10-15(13)18)16-8-9-19/h2-7,10,19H,8-9H2,1H3/p+1/b16-11+
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n/an/an/an/a 3.53E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM22860
PNG
(1,2-Dione-Based Compound, 17 | 5,6-dihydro-1=10-ph...)
Show SMILES O=C1C(=O)c2cccnc2-c2ncccc12
Show InChI InChI=1S/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H
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n/an/an/an/a 3.64E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM50099737
PNG
(2-Amino-phenanthrene-9,10-dione | CHEMBL417727 | U...)
Show SMILES Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C14H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H,15H2
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n/an/an/an/a 9.09E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM91511
PNG
(5-amino-1,2,4-dithiazole-3-thione | 5-azanyl-1,2,4...)
Show SMILES Nc1nc(=S)ss1
Show InChI InChI=1S/C2H2N2S3/c3-1-4-2(5)7-6-1/h(H2,3,4,5)
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n/an/an/an/a 1.03E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM91516
PNG
((4-dithiolanylideneamino)thiourea | (dithiolan-4-y...)
Show SMILES NC(=S)NN=C1CSSC1
Show InChI InChI=1S/C4H7N3S3/c5-4(8)7-6-3-1-9-10-2-3/h1-2H2,(H3,5,7,8)
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n/an/an/an/a 1.29E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM80754
PNG
(1-amino-8-methoxy-benzo[f]quinazoline-7,10-quinone...)
Show SMILES COC1=CC(=O)c2c(ccc3ncnc(N)c23)C1=O
Show InChI InChI=1S/C13H9N3O3/c1-19-9-4-8(17)10-6(12(9)18)2-3-7-11(10)13(14)16-5-15-7/h2-5H,1H3,(H2,14,15,16)
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n/an/an/an/a 1.41E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM7493
PNG
(cid_23641117)
Show SMILES C[C@@]12CN3[C@H]4C[C@@]56[C@H]7C[C@@H]([C@H](O)[C@H]5[C@@](CCC1)([C@H]37)[C@@H]24)C(=C)C6=O
Show InChI InChI=1S/C20H25NO2/c1-9-10-6-11-16-19-5-3-4-18(2)8-21(16)12(14(18)19)7-20(11,17(9)23)15(19)13(10)22/h10-16,22H,1,3-8H2,2H3/t10-,11+,12+,13+,14-,15+,16-,18+,19+,20-/m1/s1
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n/an/an/an/a 1.58E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM76794
PNG
(5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1H-py...)
Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)c1ccc[nH]1
Show InChI InChI=1S/C11H8N2O5S/c14-8(7-2-1-5-12-7)6-18-11(15)9-3-4-10(19-9)13(16)17/h1-5,12H,6H2
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n/an/an/an/a 1.58E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM76791
PNG
(5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(3-oxo...)
Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc12
Show InChI InChI=1S/C15H11N3O6S/c19-12-7-17(10-4-2-1-3-9(10)16-12)13(20)8-24-15(21)11-5-6-14(25-11)18(22)23/h1-6H,7-8H2,(H,16,19)
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n/an/an/an/a 1.74E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM65593
PNG
(3-Diethylamino-5-ethyl-phenazin-5-ium | MLS0012090...)
Show SMILES CCn1c2ccccc2nc2ccc(cc12)=[N+](CC)CC
Show InChI InChI=1S/C18H22N3/c1-4-20(5-2)14-11-12-16-18(13-14)21(6-3)17-10-8-7-9-15(17)19-16/h7-13H,4-6H2,1-3H3/q+1
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n/an/an/an/a 1.92E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM29507
PNG
(Kalafungin | Kalamycin | cid_283138)
Show SMILES C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)cccc1C2=O
Show InChI InChI=1S/C16H12O6/c1-6-11-13(16-9(21-6)5-10(18)22-16)14(19)7-3-2-4-8(17)12(7)15(11)20/h2-4,6,9,16-17H,5H2,1H3/t6-,9-,16+/m1/s1
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n/an/an/an/a 2.10E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM76763
PNG
(5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(2-phe...)
Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C15H14N2O5S/c18-13(16-9-8-11-4-2-1-3-5-11)10-22-15(19)12-6-7-14(23-12)17(20)21/h1-7H,8-10H2,(H,16,18)
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n/an/an/an/a 2.21E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM76790
PNG
(5-nitro-2-thiophenecarboxylic acid [2-[(2,3-dimeth...)
Show SMILES CC1CCCC(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)C1C
Show InChI InChI=1S/C15H20N2O5S/c1-9-4-3-5-11(10(9)2)16-13(18)8-22-15(19)12-6-7-14(23-12)17(20)21/h6-7,9-11H,3-5,8H2,1-2H3,(H,16,18)
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n/an/an/an/a 2.29E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM76796
PNG
(5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(4-phe...)
Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C17H17N3O5S/c21-15(12-25-17(22)14-6-7-16(26-14)20(23)24)19-10-8-18(9-11-19)13-4-2-1-3-5-13/h1-7H,8-12H2
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n/an/an/an/a 2.48E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM76497
PNG
(5-nitro-2-thiophenecarboxylic acid [2-[(4-fluoroph...)
Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C14H11FN2O5S/c15-10-3-1-9(2-4-10)7-16-12(18)8-22-14(19)11-5-6-13(23-11)17(20)21/h1-6H,7-8H2,(H,16,18)
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n/an/an/an/a 2.72E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM91497
PNG
(5-nitro-2-thiophenecarboxylic acid [2-[(diphenylme...)
Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H16N2O5S/c23-17(13-27-20(24)16-11-12-18(28-16)22(25)26)21-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,19H,13H2,(H,21,23)
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n/an/an/an/a 3.28E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM91509
PNG
(7-chloranyl-10-[5-(diethylamino)pentan-2-yl]benzo[...)
Show SMILES CCN(CC)CCCC(C)n1c2ccc(Cl)cc2nc2c1nc(=O)[nH]c2=O
Show InChI InChI=1S/C19H24ClN5O2/c1-4-24(5-2)10-6-7-12(3)25-15-9-8-13(20)11-14(15)21-16-17(25)22-19(27)23-18(16)26/h8-9,11-12H,4-7,10H2,1-3H3,(H,23,26,27)
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n/an/an/an/a 3.29E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM76773
PNG
((5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-nitrothiop...)
Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)OCc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C14H9N3O5S/c18-14(10-6-7-12(23-10)17(19)20)21-8-11-15-16-13(22-11)9-4-2-1-3-5-9/h1-7H,8H2
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n/an/an/an/a 3.31E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM80067
PNG
(MLS002693850 | N-(1,4-diketo-2-naphthyl)benzamide ...)
Show SMILES O=C(NC1=CC(=O)c2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C17H11NO3/c19-15-10-14(16(20)13-9-5-4-8-12(13)15)18-17(21)11-6-2-1-3-7-11/h1-10H,(H,18,21)
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n/an/an/an/a 3.41E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM91515
PNG
(8-aminoquinoline-5,6-dione | 8-aminoquinoline-5,6-...)
Show SMILES NC1=CC(=O)C(=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O2/c10-6-4-7(12)9(13)5-2-1-3-11-8(5)6/h1-4H,10H2
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n/an/an/an/a>3.46E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM76793
PNG
(5-nitro-2-thiophenecarboxylic acid [2-(benzoylhydr...)
Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NNC(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O6S/c18-11(15-16-13(19)9-4-2-1-3-5-9)8-23-14(20)10-6-7-12(24-10)17(21)22/h1-7H,8H2,(H,15,18)(H,16,19)
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n/an/an/an/a 3.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM46573
PNG
(5-nitro-2-thiophenecarboxylic acid [2-(1H-indol-3-...)
Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H10N2O5S/c18-12(10-7-16-11-4-2-1-3-9(10)11)8-22-15(19)13-5-6-14(23-13)17(20)21/h1-7,16H,8H2
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n/an/an/an/a 3.64E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM76521
PNG
(3-(phenylcarbonyl)benzo[f][1]benzofuran-4,9-dione ...)
Show SMILES O=C(c1coc2c1C(=O)c1ccccc1C2=O)c1ccccc1
Show InChI InChI=1S/C19H10O4/c20-16(11-6-2-1-3-7-11)14-10-23-19-15(14)17(21)12-8-4-5-9-13(12)18(19)22/h1-10H
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n/an/an/an/a 3.77E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM76553
PNG
(5-nitro-2-thiophenecarboxylic acid [2-(2-methoxyan...)
Show SMILES COc1ccccc1NC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N2O6S/c1-21-10-5-3-2-4-9(10)15-12(17)8-22-14(18)11-6-7-13(23-11)16(19)20/h2-7H,8H2,1H3,(H,15,17)
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n/an/an/an/a 3.94E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM76797
PNG
(5-nitro-2-thiophenecarboxylic acid [2-[2-methoxy-5...)
Show SMILES COc1ccc(cc1NC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H19N3O9S2/c1-28-14-3-2-12(32(26,27)20-6-8-29-9-7-20)10-13(14)19-16(22)11-30-18(23)15-4-5-17(31-15)21(24)25/h2-5,10H,6-9,11H2,1H3,(H,19,22)
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n/an/an/an/a 4.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM91519
PNG
(2-chloranyl-6-methoxy-quinoline-5,8-dione | 2-chlo...)
Show SMILES COC1=CC(=O)c2nc(Cl)ccc2C1=O
Show InChI InChI=1S/C10H6ClNO3/c1-15-7-4-6(13)9-5(10(7)14)2-3-8(11)12-9/h2-4H,1H3
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n/an/an/an/a 4.44E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM83849
PNG
(MLS002702311 | N-[2-(dimethylamino)ethyl]-6,9-dime...)
Show SMILES COc1ccc(OC)c2nc3c(cccc3nc12)C(=O)NCCN(C)C
Show InChI InChI=1S/C19H22N4O3/c1-23(2)11-10-20-19(24)12-6-5-7-13-16(12)22-18-15(26-4)9-8-14(25-3)17(18)21-13/h5-9H,10-11H2,1-4H3,(H,20,24)
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n/an/an/an/a 4.65E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM52505
PNG
(1H-imidazo[4,5-b]phenazine | MLS000700045 | SMR000...)
Show SMILES c1nc2cc3nc4ccccc4nc3cc2[nH]1
Show InChI InChI=1S/C13H8N4/c1-2-4-9-8(3-1)16-12-5-10-11(15-7-14-10)6-13(12)17-9/h1-7H,(H,14,15)
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n/an/an/an/a 5.30E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM55881
PNG
(2-(3-morpholin-4-ylphenazin-5-ium-5-yl)ethanol;per...)
Show SMILES OCCn1c2ccccc2nc2ccc(cc12)=[N+]1CCOCC1
Show InChI InChI=1S/C18H20N3O2/c22-10-7-21-17-4-2-1-3-15(17)19-16-6-5-14(13-18(16)21)20-8-11-23-12-9-20/h1-6,13,22H,7-12H2/q+1
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n/an/an/an/a 5.30E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM66626
PNG
(2-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)et...)
Show SMILES CC(=O)OCCn1c2cc(C)c(C)cc2nc2c1nc(=O)[nH]c2=O
Show InChI InChI=1S/C16H16N4O4/c1-8-6-11-12(7-9(8)2)20(4-5-24-10(3)21)14-13(17-11)15(22)19-16(23)18-14/h6-7H,4-5H2,1-3H3,(H,19,22,23)
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n/an/an/an/a 5.44E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM65998
PNG
(5-nitro-2-thiophenecarboxylic acid [2-(4-tert-buty...)
Show SMILES CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H18N2O5S/c1-17(2,3)11-4-6-12(7-5-11)18-14(20)10-24-16(21)13-8-9-15(25-13)19(22)23/h4-9H,10H2,1-3H3,(H,18,20)
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n/an/an/an/a 5.47E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM42260
PNG
((2-anilino-2-oxoethyl) 5-nitrothiophene-2-carboxyl...)
Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1ccccc1
Show InChI InChI=1S/C13H10N2O5S/c16-11(14-9-4-2-1-3-5-9)8-20-13(17)10-6-7-12(21-10)15(18)19/h1-7H,8H2,(H,14,16)
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n/an/an/an/a 5.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM71180
PNG
(2-Amino-3-bromo-[1,4]naphthoquinone | 2-amino-3-br...)
Show SMILES NC1=C(Br)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H6BrNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2
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n/an/an/an/a 6.19E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM34691
PNG
(2-methyl-3-(phenylcarbonyl)benzo[g][1]benzofuran-4...)
Show SMILES Cc1oc-2c(c1C(=O)c1ccccc1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C20H12O4/c1-11-15(17(21)12-7-3-2-4-8-12)16-19(23)18(22)13-9-5-6-10-14(13)20(16)24-11/h2-10H,1H3
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n/an/an/an/a 6.32E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM54927
PNG
(4-(benzylamino)-1,2-naphthoquinone | 4-(benzylamin...)
Show SMILES O=C1C=C(NCc2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C17H13NO2/c19-16-10-15(18-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(16)20/h1-10,18H,11H2
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n/an/an/an/a 6.33E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM76787
PNG
(5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(3,4,5...)
Show SMILES COc1cc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)cc(OC)c1OC
Show InChI InChI=1S/C16H16N2O8S/c1-23-10-6-9(7-11(24-2)15(10)25-3)17-13(19)8-26-16(20)12-4-5-14(27-12)18(21)22/h4-7H,8H2,1-3H3,(H,17,19)
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n/an/an/an/a 6.36E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM34671
PNG
(1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-...)
Show SMILES Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3
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n/an/an/an/a 6.37E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM33943
PNG
(5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[3-(3,...)
Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1cccc(c1)S(=O)(=O)\[NH+]=C1\CCCCC[N-]1
Show InChI InChI=1S/C19H20N4O7S2/c24-17(12-30-19(25)15-8-9-18(31-15)23(26)27)21-13-5-4-6-14(11-13)32(28,29)22-16-7-2-1-3-10-20-16/h4-6,8-9,11H,1-3,7,10,12H2,(H2,20,21,22,24)
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n/an/an/an/a 7.04E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM46667
PNG
(2-phenyl-1,2-benzothiazol-3-one | 2-phenyl-1,2-ben...)
Show SMILES O=c1n(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/an/an/a 7.93E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM91466
PNG
(10-(2-methoxyethyl)-3-phenyl-benzo[g]pteridine-2,4...)
Show SMILES COCCn1c2ccccc2nc2c1nc(=O)n(-c1ccccc1)c2=O
Show InChI InChI=1S/C19H16N4O3/c1-26-12-11-22-15-10-6-5-9-14(15)20-16-17(22)21-19(25)23(18(16)24)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
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n/an/an/an/a 9.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM91512
PNG
(2,3-dimethylbenzo[g]quinoxaline-5,10-dione | 2,3-d...)
Show SMILES Cc1nc2C(=O)c3ccccc3C(=O)c2nc1C
Show InChI InChI=1S/C14H10N2O2/c1-7-8(2)16-12-11(15-7)13(17)9-5-3-4-6-10(9)14(12)18/h3-6H,1-2H3
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n/an/an/an/a 9.56E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM46079
PNG
(2-(4-fluorophenyl)-1,2-benzothiazol-3-one | MLS-03...)
Show SMILES Fc1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C13H8FNOS/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H
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n/an/an/an/a 9.85E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM71373
PNG
(2-chloranyl-3-(pyridin-3-ylmethylamino)naphthalene...)
Show SMILES Oc1c(Cl)c(N=Cc2cccnc2)c(O)c2ccccc12
Show InChI InChI=1S/C16H11ClN2O2/c17-13-14(19-9-10-4-3-7-18-8-10)16(21)12-6-2-1-5-11(12)15(13)20/h1-9,20-21H
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n/an/an/an/a>1.04E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM60966
PNG
(2-[(2-amino-5-methylsulfonylphenyl)disulfanyl]-4-m...)
Show SMILES CS(=O)(=O)c1ccc(N)c(SSc2cc(ccc2N)S(C)(=O)=O)c1
Show InChI InChI=1S/C14H16N2O4S4/c1-23(17,18)9-3-5-11(15)13(7-9)21-22-14-8-10(24(2,19)20)4-6-12(14)16/h3-8H,15-16H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem
n/an/an/an/a>1.04E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM88114
PNG
(5-(2,4-dichlorophenoxy)-2-sulfanylidene-1H-pyrimid...)
Show SMILES Clc1ccc(Oc2c[nH]c(=S)[nH]c2=O)c(Cl)c1
Show InChI InChI=1S/C10H6Cl2N2O2S/c11-5-1-2-7(6(12)3-5)16-8-4-13-10(17)14-9(8)15/h1-4H,(H2,13,14,15,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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n/an/an/an/a>1.04E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM61910
PNG
(6-fluoranyl-2-phenyl-1,2-benzothiazol-3-one | 6-fl...)
Show SMILES Fc1ccc2c(c1)sn(-c1ccccc1)c2=O
Show InChI InChI=1S/C13H8FNOS/c14-9-6-7-11-12(8-9)17-15(13(11)16)10-4-2-1-3-5-10/h1-8H
PDB
MMDB

KEGG

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UniChem

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n/an/an/an/a>1.04E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM61917
PNG
(5-nitro-2-phenyl-1,2-benzothiazol-3-one | KSC-09-0...)
Show SMILES [O-][N+](=O)c1ccc2sn(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C13H8N2O3S/c16-13-11-8-10(15(17)18)6-7-12(11)19-14(13)9-4-2-1-3-5-9/h1-8H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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n/an/an/an/a>1.04E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM46057
PNG
(5-fluoranyl-2-phenyl-1,2-benzothiazol-3-one | 5-fl...)
Show SMILES Fc1ccc2sn(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C13H8FNOS/c14-9-6-7-12-11(8-9)13(16)15(17-12)10-4-2-1-3-5-10/h1-8H
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Patents


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n/an/an/an/a>1.04E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM71150
PNG
(2-Chloro-3-(4-hydroxy-phenylamino)-[1,4]naphthoqui...)
Show SMILES Oc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H10ClNO3/c17-13-14(18-9-5-7-10(19)8-6-9)16(21)12-4-2-1-3-11(12)15(13)20/h1-8,18-19H
PDB
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UniChem

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n/an/an/an/a>1.04E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
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