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Compile Data Set for Download or QSAR

Found 244 hits Enz. Inhib. hit(s) with all data for entry = 4593   
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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79639
PNG
(3-[5-(3-Hydroxy-2-methoxy-phenyl)-tetrazol-2-yl]-p...)
Show SMILES COc1c(O)cccc1-c1nnn(CCC(=O)OCC(=O)c2ccccc2)n1
Show InChI InChI=1S/C19H18N4O5/c1-27-18-14(8-5-9-15(18)24)19-20-22-23(21-19)11-10-17(26)28-12-16(25)13-6-3-2-4-7-13/h2-9,24H,10-12H2,1H3
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n/an/an/an/a>7.15E+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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM32010
PNG
((4Z)-4-[[4-(dimethylamino)anilino]methylene]-2-phe...)
Show SMILES CN(C)c1ccc(cc1)N=Cc1nc(oc1O)-c1ccccc1 |w:9.9|
Show InChI InChI=1S/C18H17N3O2/c1-21(2)15-10-8-14(9-11-15)19-12-16-18(22)23-17(20-16)13-6-4-3-5-7-13/h3-12,22H,1-2H3
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n/an/an/an/a 3.71E+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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM50774
PNG
(6-amino-1',2-dimethyl-spiro[3,8a-dihydro-1H-isoqui...)
Show SMILES CN1CCC2(CC1)C1CN(C)CCC1=C(C#N)C(=N)C2(C#N)C#N |t:15|
Show InChI InChI=1S/C18H22N6/c1-23-7-4-17(5-8-23)15-10-24(2)6-3-13(15)14(9-19)16(22)18(17,11-20)12-21/h15,22H,3-8,10H2,1-2H3
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n/an/an/an/a 9.00E+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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM39864
PNG
((4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b]...)
Show SMILES COc1ncnc2SC3=C(N)CC(C)(C)CC3=Nc12 |c:8,17|
Show InChI InChI=1S/C13H16N4OS/c1-13(2)4-7(14)10-8(5-13)17-9-11(18-3)15-6-16-12(9)19-10/h6H,4-5,14H2,1-3H3
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n/an/an/an/a>7.94E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM53515
PNG
(2-[4-[hydroxy(methylcarbamoyl)amino]-2-keto-3,5,5-...)
Show SMILES CNC(=O)N(O)C1N(C)C(=O)N(CC(=O)OC)C1(C)C
Show InChI InChI=1S/C11H20N4O5/c1-11(2)8(15(19)9(17)12-3)13(4)10(18)14(11)6-7(16)20-5/h8,19H,6H2,1-5H3,(H,12,17)
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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
Tropomyosin alpha-1 chain


(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

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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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM44437
PNG
(1-ethyl-3-phenyl-pyrazolo[4,3-b]quinoxaline | 1-et...)
Show SMILES CCn1nc(-c2ccccc2)c2nc3ccccc3nc12
Show InChI InChI=1S/C17H14N4/c1-2-21-17-16(15(20-21)12-8-4-3-5-9-12)18-13-10-6-7-11-14(13)19-17/h3-11H,2H2,1H3
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n/an/an/an/a 5.55E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
Tropomyosin alpha-1 chain


(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

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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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79643
PNG
(MLS000054988 | N-[3-[(4-methyl-1,2,4-triazol-3-yl)...)
Show SMILES Cn1cnnc1Sc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H14N6O2S2/c1-23-11-18-21-17(23)26-16-15(19-13-9-5-6-10-14(13)20-16)22-27(24,25)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,22)
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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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79644
PNG
(6-amino-1-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-y...)
Show SMILES CCn1c(=O)c(C(=O)CN2CCCc3ccccc23)c(N)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C24H26N4O3/c1-2-27-23(30)21(22(25)28(24(27)31)15-17-9-4-3-5-10-17)20(29)16-26-14-8-12-18-11-6-7-13-19(18)26/h3-7,9-11,13H,2,8,12,14-16,25H2,1H3
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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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM50322732
PNG
(2-(5-methylisoxazol-3-ylamino)-2-oxoethyl 2-(furan...)
Show SMILES Cc1cc(NC(=O)COC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)no1
Show InChI InChI=1S/C20H19N3O6/c1-13-10-17(23-29-13)22-18(24)12-28-20(26)15(11-14-6-3-2-4-7-14)21-19(25)16-8-5-9-27-16/h2-10,15H,11-12H2,1H3,(H,21,25)(H,22,23,24)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM29634
PNG
(1-(2-methyl-1H-perimidin-4-yl)ethanone | 1-(2-meth...)
Show SMILES CC(=O)c1ccc2cccc3nc(C)[nH]c1c23
Show InChI InChI=1S/C14H12N2O/c1-8(17)11-7-6-10-4-3-5-12-13(10)14(11)16-9(2)15-12/h3-7H,1-2H3,(H,15,16)
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n/an/an/an/a 1.73E+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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM44647
PNG
(11-imino-N-phenyl-2,3,6,7-tetrahydro-1H,5H,11H-pyr...)
Show SMILES N=c1oc2c3CCCN4CCCc(cc2cc1C(=O)Nc1ccccc1)c34
Show InChI InChI=1S/C22H21N3O2/c23-21-18(22(26)24-16-7-2-1-3-8-16)13-15-12-14-6-4-10-25-11-5-9-17(19(14)25)20(15)27-21/h1-3,7-8,12-13,23H,4-6,9-11H2,(H,24,26)/b23-21-
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n/an/an/an/a>10.9n/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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM40036
PNG
(MLS000094596 | N-[4-({(E)-[2-(4-methylphenyl)-5-ox...)
Show SMILES CC(=O)Nc1ccc(cc1)N=Cc1nc(oc1O)-c1ccc(C)cc1 |w:10.10|
Show InChI InChI=1S/C19H17N3O3/c1-12-3-5-14(6-4-12)18-22-17(19(24)25-18)11-20-15-7-9-16(10-8-15)21-13(2)23/h3-11,24H,1-2H3,(H,21,23)
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n/an/an/an/a 1.16E+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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
Tropomyosin alpha-1 chain


(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 |t:2|
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

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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
Tropomyosin alpha-1 chain


(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

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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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79649
PNG
(8-methoxy-2,4-dimethyl-furo[3,2-c]quinoline | 8-me...)
Show SMILES COc1ccc2nc(C)c3cc(C)oc3c2c1
Show InChI InChI=1S/C14H13NO2/c1-8-6-11-9(2)15-13-5-4-10(16-3)7-12(13)14(11)17-8/h4-7H,1-3H3
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM41787
PNG
(1-amino-4-keto-pyrrol[1,2-a]indole-2-carboxylic ac...)
Show SMILES CCOC(=O)c1cc2C(=O)c3ccccc3-n2c1N
Show InChI InChI=1S/C14H12N2O3/c1-2-19-14(18)9-7-11-12(17)8-5-3-4-6-10(8)16(11)13(9)15/h3-7H,2,15H2,1H3
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n/an/an/an/a 2.44E+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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79650
PNG
(4-methyl-N-(1-methyl-1H-benzimidazol-5-yl)benzamid...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc2n(C)cnc2c1
Show InChI InChI=1S/C16H15N3O/c1-11-3-5-12(6-4-11)16(20)18-13-7-8-15-14(9-13)17-10-19(15)2/h3-10H,1-2H3,(H,18,20)
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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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79651
PNG
(1-(2-furoyl)-4-[3-(phenylthio)propanoyl]piperazine...)
Show SMILES O=C(CCSc1ccccc1)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C18H20N2O3S/c21-17(8-14-24-15-5-2-1-3-6-15)19-9-11-20(12-10-19)18(22)16-7-4-13-23-16/h1-7,13H,8-12,14H2
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79653
PNG
(2-(2-chlorobenzyl)-3-(3-pyridylamino)isoindolin-1-...)
Show SMILES Clc1ccccc1CN1C(Nc2cccnc2)c2ccccc2C1=O
Show InChI InChI=1S/C20H16ClN3O/c21-18-10-4-1-6-14(18)13-24-19(23-15-7-5-11-22-12-15)16-8-2-3-9-17(16)20(24)25/h1-12,19,23H,13H2
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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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79654
PNG
(MLS000119318 | N-(2-furanylmethyl)-2-[methyl(8-qui...)
Show SMILES CN(CC(=O)NCc1ccco1)S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C17H17N3O4S/c1-20(12-16(21)19-11-14-7-4-10-24-14)25(22,23)15-8-2-5-13-6-3-9-18-17(13)15/h2-10H,11-12H2,1H3,(H,19,21)
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n/an/an/an/a>7.15E+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
Tropomyosin alpha-1 chain


(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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n/an/an/an/a>7.15E+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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM48161
PNG
(2-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3,4-ox...)
Show SMILES Fc1ccc(cc1)-c1nnc(o1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H7Cl2FN2O/c15-9-3-6-11(12(16)7-9)14-19-18-13(20-14)8-1-4-10(17)5-2-8/h1-7H
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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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM40102
PNG
(MLS000100922 | N-[4-(1,3-benzothiazol-2-yl)-1,3-th...)
Show SMILES O=C(Nc1nc(cs1)-c1nc2ccccc2s1)C1COc2ccccc2O1
Show InChI InChI=1S/C19H13N3O3S2/c23-17(15-9-24-13-6-2-3-7-14(13)25-15)22-19-21-12(10-26-19)18-20-11-5-1-4-8-16(11)27-18/h1-8,10,15H,9H2,(H,21,22,23)
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n/an/an/an/a>7.15E+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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79656
PNG
(5-phenyl-2-pyrimidinecarboxylic acid | 5-phenylpyr...)
Show SMILES OC(=O)c1ncc(cn1)-c1ccccc1
Show InChI InChI=1S/C11H8N2O2/c14-11(15)10-12-6-9(7-13-10)8-4-2-1-3-5-8/h1-7H,(H,14,15)
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n/an/an/an/a>7.15E+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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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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
Tropomyosin alpha-1 chain


(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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79658
PNG
(2,3-Dihydro-1H-cyclopenta[b]quinoxaline 4,9-dioxid...)
Show SMILES [O-]N1C2=C(CCC2)[N+](=O)c2ccccc12 |t:2|
Show InChI InChI=1S/C11H10N2O2/c14-12-8-4-1-2-5-9(8)13(15)11-7-3-6-10(11)12/h1-2,4-5H,3,6-7H2
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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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM50249463
PNG
(1-(biphenylcarbonyl)piperidine-4-carboxamide | CHE...)
Show SMILES NC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O2/c20-18(22)16-10-12-21(13-11-16)19(23)17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-9,16H,10-13H2,(H2,20,22)
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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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79659
PNG
(3-(5,6-Dimethyl-1H-benzoimidazol-2-yl)-piperidine-...)
Show SMILES Cc1cc2nc([nH]c2cc1C)C1CCCN(C1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H26N4O/c1-15-11-19-20(12-16(15)2)25-21(24-19)18-9-6-10-26(14-18)22(27)23-13-17-7-4-3-5-8-17/h3-5,7-8,11-12,18H,6,9-10,13-14H2,1-2H3,(H,23,27)(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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM41817
PNG
(9-benzo[c]quinolizin-11-iumol;iodide | 9-hydroxypy...)
Show SMILES Oc1ccc2ccc3cccc[n+]3c2c1
Show InChI InChI=1S/C13H9NO/c15-12-7-5-10-4-6-11-3-1-2-8-14(11)13(10)9-12/h1-9H/p+1
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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
Tropomyosin alpha-1 chain


(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 |c:4|
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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79660
PNG
((4Z)-4-[[(2-chlorobenzyl)amino]methylene]-5-(trifl...)
Show SMILES FC(F)(F)c1[nH][nH]c(=O)c1C=NCc1ccccc1Cl |w:11.12|
Show InChI InChI=1S/C12H7ClF3N3O/c13-9-4-2-1-3-7(9)5-17-6-8-10(12(14,15)16)18-19-11(8)20/h1-4,6H,5H2
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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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79661
PNG
((Z)-3-(5-Phenyl-furan-2-yl)-2-(4-thiophen-2-yl-thi...)
Show SMILES N#C\C(=C\c1ccc(o1)-c1ccccc1)c1nc(cs1)-c1cccs1
Show InChI InChI=1S/C20H12N2OS2/c21-12-15(20-22-17(13-25-20)19-7-4-10-24-19)11-16-8-9-18(23-16)14-5-2-1-3-6-14/h1-11,13H/b15-11-
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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
Tropomyosin alpha-1 chain


(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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79662
PNG
(2-keto-N-(2-methoxy-5-methyl-phenyl)-1,7,7-trimeth...)
Show SMILES COc1ccc(C)cc1NC(=O)C12CCC(C)(C(=O)O1)C2(C)C |THB:18:17:20:14.13|
Show InChI InChI=1S/C18H23NO4/c1-11-6-7-13(22-5)12(10-11)19-14(20)18-9-8-17(4,15(21)23-18)16(18,2)3/h6-7,10H,8-9H2,1-5H3,(H,19,20)
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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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79663
PNG
(5-(4-Fluoro-benzylamino)-2-morpholin-4-yl-benzoic ...)
Show SMILES OC(=O)c1cc(NCc2ccc(F)cc2)ccc1N1CCOCC1
Show InChI InChI=1S/C18H19FN2O3/c19-14-3-1-13(2-4-14)12-20-15-5-6-17(16(11-15)18(22)23)21-7-9-24-10-8-21/h1-6,11,20H,7-10,12H2,(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
Tropomyosin alpha-1 chain


(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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM46785
PNG
(2-[(5Z)-4-keto-5-[(2E)-2-(3-methylthiazolidin-2-yl...)
Show SMILES CN1CCS\C1=C\C=C1/SC(=S)N(CC(O)=O)C1=O
Show InChI InChI=1S/C11H12N2O3S3/c1-12-4-5-18-8(12)3-2-7-10(16)13(6-9(14)15)11(17)19-7/h2-3H,4-6H2,1H3,(H,14,15)/b7-2-,8-3+
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n/an/an/an/a 870n/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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79709
PNG
((5Z)-1,3-dimethyl-5-(3-methyl-4-pyrrolidino-benzyl...)
Show SMILES CN1C(=S)N(C)\C(=C/c2ccc(N3CCCC3)c(C)c2)C1=O
Show InChI InChI=1S/C17H21N3OS/c1-12-10-13(6-7-14(12)20-8-4-5-9-20)11-15-16(21)19(3)17(22)18(15)2/h6-7,10-11H,4-5,8-9H2,1-3H3/b15-11-
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n/an/an/an/a 1.55E+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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM47297
PNG
(3-(4-bromophenyl)-5-[4-(dimethylamino)phenyl]-N-me...)
Show SMILES CNC(=S)N1N=C(CC1c1ccc(cc1)N(C)C)c1ccc(Br)cc1 |c:5|
Show InChI InChI=1S/C19H21BrN4S/c1-21-19(25)24-18(14-6-10-16(11-7-14)23(2)3)12-17(22-24)13-4-8-15(20)9-5-13/h4-11,18H,12H2,1-3H3,(H,21,25)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79710
PNG
(MLS000335382 | N-aminocarbonyl-2-[2-(3,3-dimethyl-...)
Show SMILES CC(C)(C)C(=O)\C=c1/s\c(=C/c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)c(=O)n1CC(=O)NC(N)=O
Show InChI InChI=1S/C23H22N4O7S/c1-23(2,3)18(28)11-20-26(12-19(29)25-22(24)31)21(30)17(35-20)10-15-8-9-16(34-15)13-4-6-14(7-5-13)27(32)33/h4-11H,12H2,1-3H3,(H3,24,25,29,31)/b17-10-,20-11-
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n/an/an/an/a 565n/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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79711
PNG
(2-(3-hydroxyphenyl)-6-(1-piperidinyl)-1H-benzo[de]...)
Show SMILES Oc1cccc(c1)N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
Show InChI InChI=1S/C23H20N2O3/c26-16-7-4-6-15(14-16)25-22(27)18-9-5-8-17-20(24-12-2-1-3-13-24)11-10-19(21(17)18)23(25)28/h4-11,14,26H,1-3,12-13H2
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n/an/an/an/a 1.83E+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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79712
PNG
(5-(acetyloxy)-2-[(phenylacetyl)amino]benzoic acid ...)
Show SMILES CC(=O)Oc1ccc(NC(=O)Cc2ccccc2)c(c1)C(O)=O
Show InChI InChI=1S/C17H15NO5/c1-11(19)23-13-7-8-15(14(10-13)17(21)22)18-16(20)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,20)(H,21,22)
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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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79713
PNG
(6-(2-methoxyethyl)-5H-dibenzo[c,e]azepine-5,7(6H)-...)
Show SMILES COCCn1c(=O)c2ccccc2c2ccccc2c1=O
Show InChI InChI=1S/C17H15NO3/c1-21-11-10-18-16(19)14-8-4-2-6-12(14)13-7-3-5-9-15(13)17(18)20/h2-9H,10-11H2,1H3
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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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79714
PNG
((2-allyloxy-5-bromo-benzyl)-ethyl-amine;hydrochlor...)
Show SMILES CCNCc1cc(Br)ccc1OCC=C
Show InChI InChI=1S/C12H16BrNO/c1-3-7-15-12-6-5-11(13)8-10(12)9-14-4-2/h3,5-6,8,14H,1,4,7,9H2,2H3
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n/an/an/an/a>7.16E+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
Tropomyosin alpha-1 chain


(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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM46792
PNG
(2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(3,5-dimet...)
Show SMILES COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(OC)c1O
Show InChI InChI=1S/C18H15N3O3/c1-23-15-8-11(9-16(24-2)17(15)22)7-12(10-19)18-20-13-5-3-4-6-14(13)21-18/h3-9,22H,1-2H3,(H,20,21)
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n/an/an/an/a 4.89E+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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79716
PNG
(4-[[1-(4-chloranyl-3-methyl-phenyl)sulfonylpiperid...)
Show SMILES Cc1cc(ccc1Cl)S(=O)(=O)N1CCCC(C1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H21ClN2O5S/c1-13-11-17(8-9-18(13)21)29(27,28)23-10-2-3-15(12-23)19(24)22-16-6-4-14(5-7-16)20(25)26/h4-9,11,15H,2-3,10,12H2,1H3,(H,22,24)(H,25,26)
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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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