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PubChem AID 504698

Compile Data Set for Download or QSAR

Found 244 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79641
PNG
((5Z)-3-ethyl-5-(indolin-1-ylmethylene)-2-thioxo-th...)
Show SMILES CCN1C(=S)S\C(=C/N2CCc3ccccc23)C1=O
Show InChI InChI=1S/C14H14N2OS2/c1-2-16-13(17)12(19-14(16)18)9-15-8-7-10-5-3-4-6-11(10)15/h3-6,9H,2,7-8H2,1H3/b12-9-
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n/an/an/an/a 5.40E+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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79642
PNG
((2-ethoxy-1-naphthyl)methyl-(2-morpholinoethyl)ami...)
Show SMILES CCOc1ccc2ccccc2c1CNCCN1CCOCC1
Show InChI InChI=1S/C19H26N2O2/c1-2-23-19-8-7-16-5-3-4-6-17(16)18(19)15-20-9-10-21-11-13-22-14-12-21/h3-8,20H,2,9-15H2,1H3
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79645
PNG
(1-(2,5-dimethylphenyl)-2-[(5-isopropyl-1H-1,2,4-tr...)
Show SMILES CC(C)c1nnc(SCC(=O)c2cc(C)ccc2C)[nH]1
Show InChI InChI=1S/C15H19N3OS/c1-9(2)14-16-15(18-17-14)20-8-13(19)12-7-10(3)5-6-11(12)4/h5-7,9H,8H2,1-4H3,(H,16,17,18)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79657
PNG
(MLS000121109 | N-(3-Cyano-4,5-dimethyl-thiophen-2-...)
Show SMILES CC(C)c1nnc(SCC(=O)Nc2sc(C)c(C)c2C#N)n1C
Show InChI InChI=1S/C15H19N5OS2/c1-8(2)13-18-19-15(20(13)5)22-7-12(21)17-14-11(6-16)9(3)10(4)23-14/h8H,7H2,1-5H3,(H,17,21)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM50881
PNG
(3-(2-chlorophenyl)-6-[4-(diethylamino)benzylidene]...)
Show SMILES CCN(CC)c1ccc(C=c2sc3nnc(-c4ccccc4Cl)n3c2=O)cc1
Show InChI InChI=1S/C21H19ClN4OS/c1-3-25(4-2)15-11-9-14(10-12-15)13-18-20(27)26-19(23-24-21(26)28-18)16-7-5-6-8-17(16)22/h5-13H,3-4H2,1-2H3
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM40232
PNG
((5Z)-5-[4-(dimethylamino)benzylidene]-4-(p-anisidi...)
Show SMILES COc1ccc(NC2=NC(=O)SC2=Cc2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C19H19N3O2S/c1-22(2)15-8-4-13(5-9-15)12-17-18(21-19(23)25-17)20-14-6-10-16(24-3)11-7-14/h4-12H,1-3H3,(H,20,21,23)
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n/an/an/an/a 2.02E+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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79664
PNG
(2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-y...)
Show SMILES COc1ccccc1-c1nnc(SCc2nc3ccccc3s2)n1C
Show InChI InChI=1S/C18H16N4OS2/c1-22-17(12-7-3-5-9-14(12)23-2)20-21-18(22)24-11-16-19-13-8-4-6-10-15(13)25-16/h3-10H,11H2,1-2H3
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79666
PNG
(5-amino-4-cyano-3-[[1-oxo-2-[[oxo-(3,4,5-trimethox...)
Show SMILES CCOC(=O)c1sc(N)c(C#N)c1COC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C21H23N3O8S/c1-5-31-21(27)18-13(12(8-22)19(23)33-18)10-32-16(25)9-24-20(26)11-6-14(28-2)17(30-4)15(7-11)29-3/h6-7H,5,9-10,23H2,1-4H3,(H,24,26)
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n/an/an/an/a 1.11E+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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79681
PNG
((E)-3-[1-(2-Hydroxy-3-piperidin-1-yl-propyl)-1H-in...)
Show SMILES OC(CN1CCCCC1)Cn1cc(\C=C\C(=O)c2cccs2)c2ccccc12
Show InChI InChI=1S/C23H26N2O2S/c26-19(16-24-12-4-1-5-13-24)17-25-15-18(20-7-2-3-8-21(20)25)10-11-22(27)23-9-6-14-28-23/h2-3,6-11,14-15,19,26H,1,4-5,12-13,16-17H2/b11-10+
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n/an/an/an/a 1.79E+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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM51079
PNG
(MLS000588145 | N-[(5Z)-4-keto-5-[(1-methylindol-3-...)
Show SMILES Cn1cc(\C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc12
Show InChI InChI=1S/C20H15N3O2S2/c1-22-12-14(15-9-5-6-10-16(15)22)11-17-19(25)23(20(26)27-17)21-18(24)13-7-3-2-4-8-13/h2-12H,1H3,(H,21,24)/b17-11-
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n/an/an/an/a 1.47E+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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM69027
PNG
(1-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]...)
Show SMILES COc1ccc(cc1OC)-c1nn(cc1C=NNC(N)=S)-c1ccccc1
Show InChI InChI=1S/C19H19N5O2S/c1-25-16-9-8-13(10-17(16)26-2)18-14(11-21-22-19(20)27)12-24(23-18)15-6-4-3-5-7-15/h3-12H,1-2H3,(H3,20,22,27)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM47599
PNG
(3-(2-furanyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-p...)
Show SMILES [O-][N+](=O)c1ccc(C=C[C-]2CC(c3ccco3)[N+](=N2)c2ccccc2)cc1
Show InChI InChI=1S/C21H17N3O3/c25-24(26)19-12-9-16(10-13-19)8-11-17-15-20(21-7-4-14-27-21)23(22-17)18-5-2-1-3-6-18/h1-14,20H,15H2
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79722
PNG
(MLS000660862 | N'-((1E)-{3-[(6,7-dimethoxy-1-m...)
Show SMILES COc1ccc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1CN1CCc2cc(OC)c(OC)cc2C1C
Show InChI InChI=1S/C31H37N3O7/c1-19-24-16-27(38-4)26(37-3)13-21(24)10-11-34(19)18-23-12-20(8-9-25(23)36-2)17-32-33-31(35)22-14-28(39-5)30(41-7)29(15-22)40-6/h8-9,12-17,19H,10-11,18H2,1-7H3,(H,33,35)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79735
PNG
(3-(4-chlorophenyl)sulfonyl-N-(2,5-diethoxy-4-morph...)
Show SMILES CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H29ClN2O6S/c1-3-31-21-16-20(26-10-12-30-13-11-26)22(32-4-2)15-19(21)25-23(27)9-14-33(28,29)18-7-5-17(24)6-8-18/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,25,27)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM50644
PNG
(7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]meth...)
Show SMILES COc1ccc(NC=C2c3oc4cc(Cl)c(O)c(Cl)c4c3CCC2=O)cc1
Show InChI InChI=1S/C20H15Cl2NO4/c1-26-11-4-2-10(3-5-11)23-9-13-15(24)7-6-12-17-16(27-20(12)13)8-14(21)19(25)18(17)22/h2-5,8-9,23,25H,6-7H2,1H3
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n/an/an/an/a 3.93E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79758
PNG
(2-Methyl-3-(4-vinyloxy-phenyl)-2,3-dihydro-benzo[e...)
Show SMILES CC1Oc2ccccc2C(=O)N1c1ccc(OC=C)cc1
Show InChI InChI=1S/C17H15NO3/c1-3-20-14-10-8-13(9-11-14)18-12(2)21-16-7-5-4-6-15(16)17(18)19/h3-12H,1H2,2H3
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM66126
PNG
(4-(azepan-1-yl)-7-nitro-benzofurazan | 4-Azepan-1-...)
Show SMILES [O-][N+](=O)c1ccc(N2CCCCCC2)c2nonc12
Show InChI InChI=1S/C12H14N4O3/c17-16(18)10-6-5-9(11-12(10)14-19-13-11)15-7-3-1-2-4-8-15/h5-6H,1-4,7-8H2
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79764
PNG
((5Z)-2-amino-5-[4-(diethylamino)benzylidene]-2-thi...)
Show SMILES CCN(CC)c1ccc(C=C2SC(N)=NC2=O)cc1
Show InChI InChI=1S/C14H17N3OS/c1-3-17(4-2)11-7-5-10(6-8-11)9-12-13(18)16-14(15)19-12/h5-9H,3-4H2,1-2H3,(H2,15,16,18)
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n/an/an/an/a 6.02E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM53164
PNG
(2-(dimethylamino)ethyl-[[10-[[2-(dimethylamino)eth...)
Show SMILES CN(C)CCN(C)Cc1c2ccccc2c(CN(C)CCN(C)C)c2ccccc12
Show InChI InChI=1S/C26H38N4/c1-27(2)15-17-29(5)19-25-21-11-7-9-13-23(21)26(20-30(6)18-16-28(3)4)24-14-10-8-12-22(24)25/h7-14H,15-20H2,1-6H3
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n/an/an/an/a 3.43E+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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79773
PNG
(2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]...)
Show SMILES OC(=O)c1ccccc1CSc1nnnn1-c1ccccc1
Show InChI InChI=1S/C15H12N4O2S/c20-14(21)13-9-5-4-6-11(13)10-22-15-16-17-18-19(15)12-7-2-1-3-8-12/h1-9H,10H2,(H,20,21)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79782
PNG
(4-N,5-N-dibenzyl-5-N-methyl-1H-imidazole-4,5-dicar...)
Show SMILES CN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H20N4O2/c1-24(13-16-10-6-3-7-11-16)20(26)18-17(22-14-23-18)19(25)21-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,21,25)(H,22,23)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79646
PNG
(6-fluoranyl-4-oxidanidyl-7-pyrrolidin-1-yl-2,3-dih...)
Show SMILES [O-]N1C2=C(CCC2)[N+](=O)c2cc(N3CCCC3)c(F)cc12
Show InChI InChI=1S/C15H16FN3O2/c16-10-8-14-15(9-13(10)17-6-1-2-7-17)19(21)12-5-3-4-11(12)18(14)20/h8-9H,1-7H2
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79648
PNG
(1-(4-hydroxy-1,1-diketo-thiolan-3-yl)-3-phenyl-ure...)
Show SMILES OC1CS(=O)(=O)CC1NC(=O)Nc1ccccc1
Show InChI InChI=1S/C11H14N2O4S/c14-10-7-18(16,17)6-9(10)13-11(15)12-8-4-2-1-3-5-8/h1-5,9-10,14H,6-7H2,(H2,12,13,15)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79655
PNG
(1-({[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio}a...)
Show SMILES O=C(CSc1nnc(COc2ccccc2)o1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H22N4O3S/c26-20(25-13-11-24(12-14-25)17-7-3-1-4-8-17)16-29-21-23-22-19(28-21)15-27-18-9-5-2-6-10-18/h1-10H,11-16H2
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM50870
PNG
((8R,8aR)-6-Amino-8-furan-3-yl-2-methyl-2,3,8,8a-te...)
Show SMILES CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H]([C@H]2C1)c1ccoc1
Show InChI InChI=1S/C17H15N5O/c1-22-4-2-12-13(6-18)16(21)17(9-19,10-20)15(14(12)7-22)11-3-5-23-8-11/h3,5,8,14-15,21H,2,4,7H2,1H3/t14-,15+/m0/s1
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n/an/an/an/a 8.32E+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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM70529
PNG
(MLS000519046 | N-[(6-methyl-2-pyridinyl)methyliden...)
Show SMILES CC(Nc1cccc2ccccc12)C(=O)NN=Cc1cccc(C)n1
Show InChI InChI=1S/C20H20N4O/c1-14-7-5-10-17(22-14)13-21-24-20(25)15(2)23-19-12-6-9-16-8-3-4-11-18(16)19/h3-13,15,23H,1-2H3,(H,24,25)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM50897
PNG
((5Z)-3-isobutyl-5-[[2-(3-isopropoxypropylamino)-4-...)
Show SMILES CC(C)CN1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O
Show InChI InChI=1S/C23H30N4O3S2/c1-14(2)13-27-22(29)18(32-23(27)31)12-17-19(24-9-7-11-30-15(3)4)25-20-16(5)8-6-10-26(20)21(17)28/h6,8,10,12,14-15,24H,7,9,11,13H2,1-5H3/b18-12-
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM49479
PNG
(MLS000566819 | N-(4,6-dimethyl-1,3-benzothiazol-2-...)
Show SMILES Cc1cc(C)c2nc(NC(=O)C3CCCO3)sc2c1
Show InChI InChI=1S/C14H16N2O2S/c1-8-6-9(2)12-11(7-8)19-14(15-12)16-13(17)10-4-3-5-18-10/h6-7,10H,3-5H2,1-2H3,(H,15,16,17)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM66112
PNG
((5E)-2-(p-tolyl)-5-veratrylidene-2-thiazolin-4-one...)
Show SMILES COc1ccc(\C=C2\SC(=NC2=O)c2ccc(C)cc2)cc1OC
Show InChI InChI=1S/C19H17NO3S/c1-12-4-7-14(8-5-12)19-20-18(21)17(24-19)11-13-6-9-15(22-2)16(10-13)23-3/h4-11H,1-3H3/b17-11+
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n/an/an/an/a 742n/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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM52389
PNG
(MLS000543236 | N-[5-acetyl-6-[(E)-2-(dimethylamino...)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(C(C)=O)c(C=CN(C)C)oc1=O
Show InChI InChI=1S/C19H20N2O5/c1-12(22)15-11-16(19(24)26-17(15)9-10-21(2)3)20-18(23)13-5-7-14(25-4)8-6-13/h5-11H,1-4H3,(H,20,23)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79671
PNG
((4Z)-4-[(3-chloroanilino)methylene]-5-(trifluorome...)
Show SMILES FC(F)(F)c1[nH][nH]c(=O)c1C=Nc1cccc(Cl)c1
Show InChI InChI=1S/C11H5ClF3N3O/c12-6-2-1-3-7(4-6)16-5-8-9(11(13,14)15)17-18-10(8)19/h1-5H
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM47577
PNG
((5Z)-3-ethyl-2-sulfanylidene-5-[(1,2,5-trimethyl-3...)
Show SMILES CCN1C(=S)S\C(=C/c2cc(C)n(C)c2C)C1=O
Show InChI InChI=1S/C13H16N2OS2/c1-5-15-12(16)11(18-13(15)17)7-10-6-8(2)14(4)9(10)3/h6-7H,5H2,1-4H3/b11-7-
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n/an/an/an/a 2.71E+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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79675
PNG
((E)-2-Cyano-N-[5-(2,4-dichloro-benzyl)-thiazol-2-y...)
Show SMILES Clc1ccc(Cc2cnc(NC(=O)C(=C\c3c[nH]c4ccccc34)\C#N)s2)c(Cl)c1
Show InChI InChI=1S/C22H14Cl2N4OS/c23-16-6-5-13(19(24)9-16)8-17-12-27-22(30-17)28-21(29)14(10-25)7-15-11-26-20-4-2-1-3-18(15)20/h1-7,9,11-12,26H,8H2,(H,27,28,29)/b14-7+
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM51811
PNG
(3-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-...)
Show SMILES Clc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C16H12ClN3O2S/c17-11-3-1-10(2-4-11)15-18-19-16(23)20(15)12-5-6-13-14(9-12)22-8-7-21-13/h1-6,9H,7-8H2,(H,19,23)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79680
PNG
((5Z)-1-(4-methylphenyl)-5-[(E)-3-phenylazanylprop-...)
Show SMILES Cc1ccc(cc1)-n1c(O)c(C=CC=Nc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H17N3O3/c1-14-9-11-16(12-10-14)23-19(25)17(18(24)22-20(23)26)8-5-13-21-15-6-3-2-4-7-15/h2-13,25H,1H3,(H,22,24,26)/b8-5+,21-13+
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n/an/an/an/a 5.48E+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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79682
PNG
(2-(6-Bromo-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)CSc1nc2ncc(Br)cc2[nH]1
Show InChI InChI=1S/C14H9BrN4O3S/c15-9-5-11-13(16-6-9)18-14(17-11)23-7-12(20)8-2-1-3-10(4-8)19(21)22/h1-6H,7H2,(H,16,17,18)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79685
PNG
((E)-2-Acetylamino-3-(1H-indol-3-yl)-acrylic acid e...)
Show SMILES CCOC(=O)C(\NC(C)=O)=C/c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H16N2O3/c1-3-20-15(19)14(17-10(2)18)8-11-9-16-13-7-5-4-6-12(11)13/h4-9,16H,3H2,1-2H3,(H,17,18)/b14-8+
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79686
PNG
(MLS000704887 | N-(2-methylphenyl)-6-[(4-methylphen...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCCCC(=O)Nc1ccccc1C
Show InChI InChI=1S/C20H26N2O3S/c1-16-11-13-18(14-12-16)26(24,25)21-15-7-3-4-10-20(23)22-19-9-6-5-8-17(19)2/h5-6,8-9,11-14,21H,3-4,7,10,15H2,1-2H3,(H,22,23)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79687
PNG
(2-[(2Z,5Z)-4-keto-2-(2-keto-3,3-dimethyl-butyliden...)
Show SMILES CCCNC(=O)Cn1\c(=C\C(=O)C(C)(C)C)s\c(=C/c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C25H27N3O6S/c1-5-12-26-22(30)15-27-23(14-21(29)25(2,3)4)35-20(24(27)31)13-18-10-11-19(34-18)16-6-8-17(9-7-16)28(32)33/h6-11,13-14H,5,12,15H2,1-4H3,(H,26,30)/b20-13-,23-14-
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79688
PNG
(4-chloranyl-3-nitro-N-(2-phenylphenyl)benzamide | ...)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H13ClN2O3/c20-16-11-10-14(12-18(16)22(24)25)19(23)21-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h1-12H,(H,21,23)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM48749
PNG
((5Z)-5-(2,5-dimethoxy-4-pyrrolidino-benzylidene)-3...)
Show SMILES CC\N=C1\S\C(=C/c2cc(OC)c(cc2OC)N2CCCC2)C(=O)N1CC
Show InChI InChI=1S/C20H27N3O3S/c1-5-21-20-23(6-2)19(24)18(27-20)12-14-11-17(26-4)15(13-16(14)25-3)22-9-7-8-10-22/h11-13H,5-10H2,1-4H3/b18-12-,21-20+
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79700
PNG
(MLS000698036 | N-(tert-butyl)-2-[(4-cyclohexyl-5-m...)
Show SMILES Cc1nnc(SCC(=O)NC(C)(C)C)n1C1CCCCC1
Show InChI InChI=1S/C15H26N4OS/c1-11-17-18-14(19(11)12-8-6-5-7-9-12)21-10-13(20)16-15(2,3)4/h12H,5-10H2,1-4H3,(H,16,20)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79715
PNG
((cyclobutylmethyl){[3-(2,4-difluorophenyl)-1H-pyra...)
Show SMILES Fc1ccc(-c2n[nH]cc2CN(CC2CCC2)CC2CCCO2)c(F)c1
Show InChI InChI=1S/C20H25F2N3O/c21-16-6-7-18(19(22)9-16)20-15(10-23-24-20)12-25(11-14-3-1-4-14)13-17-5-2-8-26-17/h6-7,9-10,14,17H,1-5,8,11-13H2,(H,23,24)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79720
PNG
(2-[(2-amino-5-benzoyl-anilino)methylene]-5,5-dimet...)
Show SMILES CC1(C)CC(=O)C(=CNc2cc(ccc2N)C(=O)c2ccccc2)C(=O)C1
Show InChI InChI=1S/C22H22N2O3/c1-22(2)11-19(25)16(20(26)12-22)13-24-18-10-15(8-9-17(18)23)21(27)14-6-4-3-5-7-14/h3-10,13,24H,11-12,23H2,1-2H3
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM50489
PNG
((5E)-5-[(5-methyl-2-furanyl)methylidene]-4-sulfany...)
Show SMILES Cc1ccc(C=C2SC(O)=NC2=S)o1
Show InChI InChI=1S/C9H7NO2S2/c1-5-2-3-6(12-5)4-7-8(13)10-9(11)14-7/h2-4H,1H3,(H,10,11,13)
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n/an/an/an/a 1.79E+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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79724
PNG
((4Z)-4-(dimethylaminomethylene)-5-keto-2-methyl-2-...)
Show SMILES COC(=O)C1=C(C)NC(=O)\C1=C/N(C)C
Show InChI InChI=1S/C10H14N2O3/c1-6-8(10(14)15-4)7(5-12(2)3)9(13)11-6/h5H,1-4H3,(H,11,13)/b7-5-
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM46797
PNG
(MLS000730367 | N'-(3-allyl-7-methyl-2,4-dioxo-...)
Show SMILES CN(C)C=Nc1cc2nc3[nH]c(=O)n(CC=C)c(=O)c3nc2cc1C
Show InChI InChI=1S/C17H18N6O2/c1-5-6-23-16(24)14-15(21-17(23)25)20-13-8-11(18-9-22(3)4)10(2)7-12(13)19-14/h5,7-9H,1,6H2,2-4H3,(H,20,21,25)
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n/an/an/an/a 1.86E+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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79728
PNG
((E)-1-(1-azepanyl)-3-(1,3-benzothiazol-2-yl)-2-pro...)
Show SMILES O=C(\C=C\c1nc2ccccc2s1)N1CCCCCC1
Show InChI InChI=1S/C16H18N2OS/c19-16(18-11-5-1-2-6-12-18)10-9-15-17-13-7-3-4-8-14(13)20-15/h3-4,7-10H,1-2,5-6,11-12H2/b10-9+
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79733
PNG
(1-(2-methylphenyl)-5-(2-methylpropylsulfanyl)-1,2,...)
Show SMILES CC(C)CSc1nnnn1-c1ccccc1C
Show InChI InChI=1S/C12H16N4S/c1-9(2)8-17-12-13-14-15-16(12)11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM41422
PNG
(2-[2-(4-fluorophenyl)-4-hydroxy-3-[(5-methyl-2-fur...)
Show SMILES COC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H17FN2O6S/c1-10-4-9-14(31-10)17(26)15-16(12-5-7-13(23)8-6-12)25(20(28)18(15)27)22-24-11(2)19(32-22)21(29)30-3/h4-9,15-16H,1-3H3
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%