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Compile Data Set for Download or QSAR

Found 276 hits Enz. Inhib. hit(s) with Target = 'cardiac alpha tropomyosin'   
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)
BDBM66121
PNG
((2E)-2-(dimethylaminomethylene)pyrrol[1,2-a]indole...)
Show SMILES CN(C)\C=C1/C=C2N(C1=O)c1ccccc1C2=O
Show InChI InChI=1S/C14H12N2O2/c1-15(2)8-9-7-12-13(17)10-5-3-4-6-11(10)16(12)14(9)18/h3-8H,1-2H3/b9-8+
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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
cardiac alpha tropomyosin


(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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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

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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)
BDBM79726
PNG
((E,4Z)-2-acetyl-4-(5,6-diethoxy-3-ethyl-1,3-benzot...)
Show SMILES CCOC(=O)C(=CC=C1Sc2cc(OCC)c(OCC)cc2N1CC)C(C)=O
Show InChI InChI=1S/C21H27NO5S/c1-6-22-16-12-17(25-7-2)18(26-8-3)13-19(16)28-20(22)11-10-15(14(5)23)21(24)27-9-4/h10-13H,6-9H2,1-5H3
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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)
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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PubChem Bioassay (2011)


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


(Sus scrofa)
BDBM53358
PNG
(3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylsulfanyl...)
Show SMILES CSc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(SC)cc1
Show InChI InChI=1S/C19H15N3O4S3/c1-27-11-7-5-10(6-8-11)14-13(15(23)12-4-3-9-26-12)16(24)17(25)22(14)18-20-21-19(28-2)29-18/h3-9,13-14H,1-2H3
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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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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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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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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)
BDBM43688
PNG
((E)-2-(1H-Benzoimidazol-2-yl)-3-(5-morpholin-4-yl-...)
Show SMILES N#C\C(=C/c1ccc(o1)N1CCOCC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H16N4O2/c19-12-13(18-20-15-3-1-2-4-16(15)21-18)11-14-5-6-17(24-14)22-7-9-23-10-8-22/h1-6,11H,7-10H2,(H,20,21)/b13-11+
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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)
BDBM43395
PNG
((2E)-2-[4-(diethylamino)benzylidene]-1,3-diketo-in...)
Show SMILES CCN(CC)c1ccc(\C=C2/C(=O)c3ccc(cc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C21H19NO4/c1-3-22(4-2)15-8-5-13(6-9-15)11-18-19(23)16-10-7-14(21(25)26)12-17(16)20(18)24/h5-12H,3-4H2,1-2H3,(H,25,26)/b18-11+
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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)
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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PubChem Bioassay (2011)


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


(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

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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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PubChem Bioassay (2011)


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


(Sus scrofa)
BDBM79672
PNG
((E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-[(4-m...)
Show SMILES Cc1ccnc(c1)N=CC(C#N)c1nc(cs1)-c1cccc(Br)c1
Show InChI InChI=1S/C18H13BrN4S/c1-12-5-6-21-17(7-12)22-10-14(9-20)18-23-16(11-24-18)13-3-2-4-15(19)8-13/h2-8,10-11,14H,1H3
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PubChem Bioassay (2011)


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


(Sus scrofa)
BDBM79760
PNG
(3-[2-[(E)-2-[(Z)-(5-methoxy-3-methyl-1,3-benzoxazo...)
Show SMILES CC\C(=C/c1sc2ccccc2[n+]1CCCS([O-])(=O)=O)\C=C1/Oc2ccc(OC)cc2N1C
Show InChI InChI=1S/C24H26N2O5S2/c1-4-17(14-23-25(2)20-16-18(30-3)10-11-21(20)31-23)15-24-26(12-7-13-33(27,28)29)19-8-5-6-9-22(19)32-24/h5-6,8-11,14-16H,4,7,12-13H2,1-3H3
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PubChem Bioassay (2011)


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


(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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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

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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)
BDBM51048
PNG
(2,4-dichlorobenzoic acid 2-(1,3-diketo-6-morpholin...)
Show SMILES Clc1ccc(C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C25H20Cl2N2O5/c26-15-4-5-16(20(27)14-15)25(32)34-13-10-29-23(30)18-3-1-2-17-21(28-8-11-33-12-9-28)7-6-19(22(17)18)24(29)31/h1-7,14H,8-13H2
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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
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79699
PNG
((5E)-5-(2,5-dimethoxy-4-pyrrolidino-benzylidene)-2...)
Show SMILES COc1cc(N2CCCC2)c(OC)cc1\C=C1\NC(=S)NC1=O
Show InChI InChI=1S/C16H19N3O3S/c1-21-13-9-12(19-5-3-4-6-19)14(22-2)8-10(13)7-11-15(20)18-16(23)17-11/h7-9H,3-6H2,1-2H3,(H2,17,18,20,23)/b11-7+
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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)
BDBM51295
PNG
(8-Amino-2-thioxo-2,3-dihydro-1H-benzo[g]pteridin-4...)
Show SMILES Nc1ccc2nc3c(nc2c1)[nH]c(=S)[nH]c3=O
Show InChI InChI=1S/C10H7N5OS/c11-4-1-2-5-6(3-4)13-8-7(12-5)9(16)15-10(17)14-8/h1-3H,11H2,(H2,13,14,15,16,17)
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n/an/an/an/a 1.14E+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)
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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n/an/an/an/a 1.21E+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)
BDBM68926
PNG
((2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)-1-piperaziny...)
Show SMILES COc1ccccc1\C=C\C=C1/Oc2c(ccc(O)c2CN2CCN(CCO)CC2)C1=O
Show InChI InChI=1S/C25H28N2O5/c1-31-22-7-3-2-5-18(22)6-4-8-23-24(30)19-9-10-21(29)20(25(19)32-23)17-27-13-11-26(12-14-27)15-16-28/h2-10,28-29H,11-17H2,1H3/b6-4+,23-8-
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n/an/an/an/a 1.37E+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)
BDBM66124
PNG
(5-(4-nitrophenyl)-2-furaldehyde methyl(phenyl)hydr...)
Show SMILES CN(\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C18H15N3O3/c1-20(15-5-3-2-4-6-15)19-13-17-11-12-18(24-17)14-7-9-16(10-8-14)21(22)23/h2-13H,1H3/b19-13+
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n/an/an/an/a 1.44E+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)
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)
BDBM79667
PNG
((5Z)-3-ethyl-5-[(2E)-2-(3-methyl-1,3-thiazolidin-2...)
Show SMILES CCN1C(=S)S\C(=C/C=C2/SCCN2C)C1=O
Show InChI InChI=1S/C11H14N2OS3/c1-3-13-10(14)8(17-11(13)15)4-5-9-12(2)6-7-16-9/h4-5H,3,6-7H2,1-2H3/b8-4-,9-5+
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n/an/an/an/a 1.54E+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)
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
cardiac alpha tropomyosin


(Sus scrofa)
BDBM65365
PNG
((Z)-2-cyano-N-(4-methoxyphenyl)-3-(5-morpholin-4-y...)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(o2)N2CCOCC2)\C#N)cc1
Show InChI InChI=1S/C19H19N3O4/c1-24-16-4-2-15(3-5-16)21-19(23)14(13-20)12-17-6-7-18(26-17)22-8-10-25-11-9-22/h2-7,12H,8-11H2,1H3,(H,21,23)/b14-12-
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n/an/an/an/a 1.58E+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)
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
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)
BDBM61634
PNG
(1-allyl-2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4...)
Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2ccccc2n1CC=C
Show InChI InChI=1S/C20H21N2/c1-4-13-22-16(2)18(19-7-5-6-8-20(19)22)10-9-17-11-14-21(3)15-12-17/h4-12,14-15H,1,13H2,2-3H3/q+1
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n/an/an/an/a 1.88E+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)
BDBM79784
PNG
(6-[2-(3-aminophenyl)ethynyl]-2-[4-(dimethylamino)p...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(=O)c2cc(ccc2o1)C#Cc1cccc(N)c1
Show InChI InChI=1S/C25H20N2O2/c1-27(2)21-11-9-19(10-12-21)25-16-23(28)22-15-18(8-13-24(22)29-25)7-6-17-4-3-5-20(26)14-17/h3-5,8-16H,26H2,1-2H3
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n/an/an/an/a 1.98E+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)
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)
BDBM51191
PNG
((Z)-[2-keto-4-(3-methylpyridin-1-ium-1-yl)-3-thiaz...)
Show SMILES Cc1ccc[n+](c1)-c1[n-]c(=O)sc1C=O
Show InChI InChI=1S/C10H8N2O2S/c1-7-3-2-4-12(5-7)9-8(6-13)15-10(14)11-9/h2-6H,1H3
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n/an/an/an/a 2.18E+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)
BDBM52242
PNG
((5E)-5-[[5-(1-azepanyl)-2-furanyl]methylidene]-1-m...)
Show SMILES CN1C(=S)NC(=O)\C(=C/c2ccc(o2)N2CCCCCC2)C1=O
Show InChI InChI=1S/C16H19N3O3S/c1-18-15(21)12(14(20)17-16(18)23)10-11-6-7-13(22-11)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9H2,1H3,(H,17,20,23)/b12-10+
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n/an/an/an/a 2.22E+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)
BDBM59497
PNG
(5-[(2Z)-2-(2-ethyl-2-methyl-6-phenyl-1,3-dioxin-4-...)
Show SMILES CCC1(C)O\C(=C/C=C2C(=O)NC(=O)NC2=O)C=C(O1)c1ccccc1
Show InChI InChI=1S/C19H18N2O5/c1-3-19(2)25-13(11-15(26-19)12-7-5-4-6-8-12)9-10-14-16(22)20-18(24)21-17(14)23/h4-11H,3H2,1-2H3,(H2,20,21,22,23,24)/b13-9-
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n/an/an/an/a 2.39E+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)
BDBM79791
PNG
(MLS002636842 | N-(2-methoxyphenyl)-2-[2-[(Z)-(2-me...)
Show SMILES COc1ccccc1NS(=O)(=O)c1cc(ccc1N=[NH+]Cc1c(C)[n-]c2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C23H20N5O5S/c1-15-18(17-7-3-4-8-19(17)25-15)14-24-26-21-12-11-16(28(29)30)13-23(21)34(31,32)27-20-9-5-6-10-22(20)33-2/h3-13,27H,14H2,1-2H3/q-1/p+1
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n/an/an/an/a 2.57E+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)
BDBM73876
PNG
((4Z)-4-(2,5-dimethoxybenzylidene)-2-phenyl-2-oxazo...)
Show SMILES COc1ccc(OC)c(\C=C2/N=C(OC2=O)c2ccccc2)c1
Show InChI InChI=1S/C18H15NO4/c1-21-14-8-9-16(22-2)13(10-14)11-15-18(20)23-17(19-15)12-6-4-3-5-7-12/h3-11H,1-2H3/b15-11-
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n/an/an/an/a 2.58E+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)
BDBM50963
PNG
((5Z)-5-[(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)m...)
Show SMILES Cc1cc(\C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1cccnc1
Show InChI InChI=1S/C20H17N3O2S2/c1-13-9-15(14(2)23(13)16-5-3-7-21-11-16)10-18-19(24)22(20(26)27-18)12-17-6-4-8-25-17/h3-11H,12H2,1-2H3/b18-10-
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n/an/an/an/a>2.65E+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)
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)
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)
BDBM79665
PNG
(2-[4-(diethylamino)-2-hydroxy-benzylidene]thiazolo...)
Show SMILES CCN(CC)c1ccc(C=c2sc3nc4ccccc4n3c2=O)c(O)c1
Show InChI InChI=1S/C20H19N3O2S/c1-3-22(4-2)14-10-9-13(17(24)12-14)11-18-19(25)23-16-8-6-5-7-15(16)21-20(23)26-18/h5-12,24H,3-4H2,1-2H3
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n/an/an/an/a 2.78E+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)
BDBM47264
PNG
(3,6-dihydroxy-5-methyl-2-phenyl-1H-benzo[de]isoqui...)
Show SMILES Cc1c(O)c2C(=O)N(C(=O)c3cccc(c1O)c23)c1ccccc1
Show InChI InChI=1S/C19H13NO4/c1-10-16(21)12-8-5-9-13-14(12)15(17(10)22)19(24)20(18(13)23)11-6-3-2-4-7-11/h2-9,21-22H,1H3
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n/an/an/an/a 2.90E+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)
BDBM50892
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-[4-(4-morp...)
Show SMILES S=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C27H23N5O3S/c36-27(28-18-5-8-20(9-6-18)32-11-15-33-16-12-32)29-19-7-10-21-22(17-19)31-26(24-4-2-14-35-24)25(30-21)23-3-1-13-34-23/h1-10,13-14,17H,11-12,15-16H2,(H2,28,29,36)
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n/an/an/an/a 2.92E+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)
BDBM79757
PNG
(1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrid...)
Show SMILES CS(O)(=O)=O.CC1(C)CCN2CCC(C)(C)c3c(O)ccc1c23
Show InChI InChI=1S/C16H23NO.CH4O3S/c1-15(2)7-9-17-10-8-16(3,4)13-12(18)6-5-11(15)14(13)17;1-5(2,3)4/h5-6,18H,7-10H2,1-4H3;1H3,(H,2,3,4)
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n/an/an/an/a 3.33E+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)
BDBM32010
PNG
((4Z)-4-[[4-(dimethylamino)anilino]methylene]-2-phe...)
Show SMILES CN(C)c1ccc(cc1)N=Cc1nc(oc1O)-c1ccccc1
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
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79707
PNG
(MLS000718088 | N-[(3-cyano-6-propyl-5,7-dihydro-4H...)
Show SMILES CCCN1CCc2c(C1)sc(NC(=S)NC(=O)c1ccccc1)c2C#N
Show InChI InChI=1S/C19H20N4OS2/c1-2-9-23-10-8-14-15(11-20)18(26-16(14)12-23)22-19(25)21-17(24)13-6-4-3-5-7-13/h3-7H,2,8-10,12H2,1H3,(H2,21,22,24,25)
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n/an/an/an/a 3.73E+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)
BDBM79674
PNG
(MLS000579105 | N'-[(3-oxo-1-benzothien-2(3H)-y...)
Show SMILES Oc1c(C=NNC(=O)c2ccccc2)sc2ccccc12
Show InChI InChI=1S/C16H12N2O2S/c19-15-12-8-4-5-9-13(12)21-14(15)10-17-18-16(20)11-6-2-1-3-7-11/h1-10,19H,(H,18,20)
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n/an/an/an/a 3.91E+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)
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


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)
BDBM51177
PNG
(2-(2-methyl-4-pyrrolidino-benzylidene)malononitril...)
Show SMILES Cc1cc(ccc1C=C(C#N)C#N)N1CCCC1
Show InChI InChI=1S/C15H15N3/c1-12-8-15(18-6-2-3-7-18)5-4-14(12)9-13(10-16)11-17/h4-5,8-9H,2-3,6-7H2,1H3
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n/an/an/an/a 4.16E+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
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