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PubChem AID 2141

Compile data set for download or QSAR
Found 69 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
plectin 1


(Homo sapiens)
BDBM54915
PNG
(MLS000588658 | N-(1-butyl-3-tosyl-pyrrolo[3,2-b]qu...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccccc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-16-14-19(2)15-17-20)27(31)30-37(34,35)21-10-6-5-7-11-21/h5-17,30H,3-4,18H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54907
PNG
(2-Amino-1-phenethyl-1H-pyrrolo[2,3-b]quinoxaline-3...)
Show SMILES Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCc1ccccc1
Show InChI InChI=1S/C24H21N5O2/c25-22-20(24(30)26-15-17-9-6-14-31-17)21-23(28-19-11-5-4-10-18(19)27-21)29(22)13-12-16-7-2-1-3-8-16/h1-11,14H,12-13,15,25H2,(H,26,30)
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n/an/a 1.77E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54910
PNG
(2-thiophenecarboxylic acid [4-[[[(3-fluorophenyl)-...)
Show SMILES Fc1cccc(c1)C(=O)NN=Cc1ccc(OC(=O)c2cccs2)cc1
Show InChI InChI=1S/C19H13FN2O3S/c20-15-4-1-3-14(11-15)18(23)22-21-12-13-6-8-16(9-7-13)25-19(24)17-5-2-10-26-17/h1-12H,(H,22,23)
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n/an/a 1.79E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM51255
PNG
(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quin...)
Show SMILES COC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C17H18N2O2/c1-19-9-11(17(20)21-2)6-13-12-4-3-5-14-16(12)10(8-18-14)7-15(13)19/h3-6,8,11,15,18H,7,9H2,1-2H3
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n/an/a 1.85E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54934
PNG
(6-keto-N-(4-morpholinosulfonylphenyl)-1H-pyridine-...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccc(=O)[nH]c1
Show InChI InChI=1S/C16H17N3O5S/c20-15-6-1-12(11-17-15)16(21)18-13-2-4-14(5-3-13)25(22,23)19-7-9-24-10-8-19/h1-6,11H,7-10H2,(H,17,20)(H,18,21)
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n/an/a 1.89E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54908
PNG
(2-[(5-Bromo-furan-2-carbonyl)-amino]-1-butyl-1H-py...)
Show SMILES CCCCn1c(NC(=O)c2ccc(Br)o2)c(C(=O)OCC)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H21BrN4O4/c1-3-5-12-27-19(26-21(28)15-10-11-16(23)31-15)17(22(29)30-4-2)18-20(27)25-14-9-7-6-8-13(14)24-18/h6-11H,3-5,12H2,1-2H3,(H,26,28)
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n/an/a 2.04E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54916
PNG
(MLS000588665 | N-(3-Benzenesulfonyl-1-cyclohexyl-1...)
Show SMILES O=S(=O)(Nc1c(c2nc3ccccc3nc2n1C1CCCCC1)S(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H26N4O4S2/c33-37(34,21-14-6-2-7-15-21)26-25-27(30-24-19-11-10-18-23(24)29-25)32(20-12-4-1-5-13-20)28(26)31-38(35,36)22-16-8-3-9-17-22/h2-3,6-11,14-20,31H,1,4-5,12-13H2
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n/an/a 2.09E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54944
PNG
(3-[(E)-(5-chloro-2-hydroxyphenyl)diazenyl]-4,5-dih...)
Show SMILES Oc1ccc(Cl)cc1N=Nc1c(O)c2c(O)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C16H11ClN2O9S2/c17-8-1-2-11(20)10(5-8)18-19-15-13(30(26,27)28)4-7-3-9(29(23,24)25)6-12(21)14(7)16(15)22/h1-6,20-22H,(H,23,24,25)(H,26,27,28)/p-2
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n/an/a 2.14E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM53830
PNG
(2-(benzenesulfonamido)-1-butyl-3-pyrrolo[3,2-b]qui...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccccc2)c(C(=O)OCC)c2nc3ccccc3nc12
Show InChI InChI=1S/C23H24N4O4S/c1-3-5-15-27-21(26-32(29,30)16-11-7-6-8-12-16)19(23(28)31-4-2)20-22(27)25-18-14-10-9-13-17(18)24-20/h6-14,26H,3-5,15H2,1-2H3
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n/an/a 2.16E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54937
PNG
(2-Amino-1-(3-methoxy-propyl)-1H-pyrrolo[2,3-b]quin...)
Show SMILES COCCCn1c(N)c(C(=O)NCc2ccco2)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H21N5O3/c1-27-10-5-9-25-18(21)16(20(26)22-12-13-6-4-11-28-13)17-19(25)24-15-8-3-2-7-14(15)23-17/h2-4,6-8,11H,5,9-10,12,21H2,1H3,(H,22,26)
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n/an/a 2.31E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54906
PNG
(MLS000100703 | N-[4-(2-ketochromen-3-yl)thiazol-2-...)
Show SMILES O=C(Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccco1
Show InChI InChI=1S/C17H10N2O4S/c20-15(14-6-3-7-22-14)19-17-18-12(9-24-17)11-8-10-4-1-2-5-13(10)23-16(11)21/h1-9H,(H,18,19,20)
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n/an/a 2.39E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54933
PNG
(4-bromanyl-N-[(3-bromophenyl)methylideneamino]benz...)
Show SMILES Brc1ccc(cc1)C(=O)NN=Cc1cccc(Br)c1
Show InChI InChI=1S/C14H10Br2N2O/c15-12-6-4-11(5-7-12)14(19)18-17-9-10-2-1-3-13(16)8-10/h1-9H,(H,18,19)
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n/an/a 2.54E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54921
PNG
((4Z)-4-[(4-hydroxyanilino)methylene]-2,2,5,5-tetra...)
Show SMILES CC1(C)OC(C)(C)C(=CNc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C15H19NO3/c1-14(2)12(13(18)15(3,4)19-14)9-16-10-5-7-11(17)8-6-10/h5-9,16-17H,1-4H3
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n/an/a 2.93E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM46566
PNG
(MLS000589113 | N-(3-Benzenesulfonyl-1-butyl-1H-pyr...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-10-6-5-7-11-20)27(31)30-37(34,35)21-16-14-19(2)15-17-21/h5-17,30H,3-4,18H2,1-2H3
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n/an/a 3.41E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM35362
PNG
(5-bromanyl-N-(3-cyano-1-phenyl-pyrrolo[3,2-b]quino...)
Show SMILES Brc1ccc(o1)C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1
Show InChI InChI=1S/C22H12BrN5O2/c23-18-11-10-17(30-18)22(29)27-20-14(12-24)19-21(28(20)13-6-2-1-3-7-13)26-16-9-5-4-8-15(16)25-19/h1-11H,(H,27,29)
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n/an/a 3.73E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54924
PNG
(4-[(4-benzoxybenzylidene)amino]phenol | 4-[(4-phen...)
Show SMILES Oc1ccc(cc1)\N=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H17NO2/c22-19-10-8-18(9-11-19)21-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-14,22H,15H2/b21-14+
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n/an/a 3.74E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54939
PNG
((5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-y...)
Show SMILES CC(C)COc1ccc(cc1)-c1nn(cc1\C=C1\SC(=S)N(CC(O)=O)C1=O)-c1ccccc1
Show InChI InChI=1S/C25H23N3O4S2/c1-16(2)15-32-20-10-8-17(9-11-20)23-18(13-28(26-23)19-6-4-3-5-7-19)12-21-24(31)27(14-22(29)30)25(33)34-21/h3-13,16H,14-15H2,1-2H3,(H,29,30)/b21-12+
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n/an/a 3.91E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54771
PNG
(3-amino-4-(ethylamino)benzoic acid | 3-azanyl-4-(e...)
Show SMILES CCNc1ccc(cc1N)C(O)=O
Show InChI InChI=1S/C9H12N2O2/c1-2-11-8-4-3-6(9(12)13)5-7(8)10/h3-5,11H,2,10H2,1H3,(H,12,13)
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n/an/a 3.96E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54948
PNG
(5-[(5E)-5-(3,4-dibenzoxybenzylidene)-4-keto-2-thio...)
Show SMILES OC(=O)CCCCN1C(=S)S\C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C29H27NO5S2/c31-27(32)13-7-8-16-30-28(33)26(37-29(30)36)18-23-14-15-24(34-19-21-9-3-1-4-10-21)25(17-23)35-20-22-11-5-2-6-12-22/h1-6,9-12,14-15,17-18H,7-8,13,16,19-20H2,(H,31,32)/b26-18+
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n/an/a 4.03E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54922
PNG
(4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoi...)
Show SMILES Oc1c2CC=CCc2c(O)n1-c1ccc(cc1)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C21H17BrN2O3/c22-14-7-9-15(10-8-14)23-19(25)13-5-11-16(12-6-13)24-20(26)17-3-1-2-4-18(17)21(24)27/h1-2,5-12,26-27H,3-4H2,(H,23,25)
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n/an/a 4.27E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54932
PNG
((5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(furan...)
Show SMILES O=C(OCc1nnc(o1)-c1ccccc1)\C=C\c1ccco1
Show InChI InChI=1S/C16H12N2O4/c19-15(9-8-13-7-4-10-20-13)21-11-14-17-18-16(22-14)12-5-2-1-3-6-12/h1-10H,11H2/b9-8+
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n/an/a 4.37E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54947
PNG
((2S)-2-[2-[4,8-dimethyl-2-oxidanylidene-3-(phenylm...)
Show SMILES Cc1c(OCC(=O)N[C@@H](Cc2ccccc2)C(O)=O)ccc2c(C)c(Cc3ccccc3)c(=O)oc12
Show InChI InChI=1S/C29H27NO6/c1-18-22-13-14-25(19(2)27(22)36-29(34)23(18)15-20-9-5-3-6-10-20)35-17-26(31)30-24(28(32)33)16-21-11-7-4-8-12-21/h3-14,24H,15-17H2,1-2H3,(H,30,31)(H,32,33)/t24-/m0/s1
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n/an/a 4.38E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM32115
PNG
(4-[(4-methylbenzyl)amino]phenol | 4-[(4-methylphen...)
Show SMILES Cc1ccc(CNc2ccc(O)cc2)cc1
Show InChI InChI=1S/C14H15NO/c1-11-2-4-12(5-3-11)10-15-13-6-8-14(16)9-7-13/h2-9,15-16H,10H2,1H3
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n/an/a 4.51E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54928
PNG
(3-(4-tert-butylphenyl)-3-[2-(4-fluorophenyl)ethano...)
Show SMILES CC(C)(C)c1ccc(cc1)C(CC(O)=O)NC(=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C21H24FNO3/c1-21(2,3)16-8-6-15(7-9-16)18(13-20(25)26)23-19(24)12-14-4-10-17(22)11-5-14/h4-11,18H,12-13H2,1-3H3,(H,23,24)(H,25,26)
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n/an/a 4.55E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54911
PNG
(4-({3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxybenzy...)
Show SMILES COc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccccc1F
Show InChI InChI=1S/C21H19BrFNO3/c1-26-20-11-14(12-24-16-6-8-17(25)9-7-16)10-18(22)21(20)27-13-15-4-2-3-5-19(15)23/h2-11,24-25H,12-13H2,1H3
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n/an/a 4.66E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54943
PNG
(4-[[2-[(Z)-[1-[2-(2-methylanilino)-2-oxoethyl]-2,5...)
Show SMILES Cc1ccccc1NC(=O)CN1C(=O)N\C(=C/c2ccccc2OCc2ccc(cc2)C(O)=O)C1=O
Show InChI InChI=1S/C27H23N3O6/c1-17-6-2-4-8-21(17)28-24(31)15-30-25(32)22(29-27(30)35)14-20-7-3-5-9-23(20)36-16-18-10-12-19(13-11-18)26(33)34/h2-14H,15-16H2,1H3,(H,28,31)(H,29,35)(H,33,34)/b22-14-
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n/an/a 5.04E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM33164
PNG
(4-[(2-ethoxybenzyl)amino]phenol | 4-[(2-ethoxyphen...)
Show SMILES CCOc1ccccc1CNc1ccc(O)cc1
Show InChI InChI=1S/C15H17NO2/c1-2-18-15-6-4-3-5-12(15)11-16-13-7-9-14(17)10-8-13/h3-10,16-17H,2,11H2,1H3
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n/an/a 5.11E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54772
PNG
(MLS000936640 | SMR000621111 | cid_5052536)
Show SMILES OC(=O)CCCNc1cc(N2CCN(CC2)C(=O)c2ccco2)c2noc3-c4ccccc4C(=O)c1c23
Show InChI InChI=1S/C27H24N4O6/c32-21(33)8-3-9-28-18-15-19(30-10-12-31(13-11-30)27(35)20-7-4-14-36-20)24-23-22(18)25(34)16-5-1-2-6-17(16)26(23)37-29-24/h1-2,4-7,14-15,28H,3,8-13H2,(H,32,33)
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n/an/a 5.41E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54935
PNG
(1-[(E)-4-Hydroxy-phenylimino]-4,4,6-trimethyl-1H,4...)
Show SMILES CC1=CC(C)(C)N2C(=O)\C(=N\c3ccc(O)cc3)c3cccc1c23
Show InChI InChI=1S/C20H18N2O2/c1-12-11-20(2,3)22-18-15(12)5-4-6-16(18)17(19(22)24)21-13-7-9-14(23)10-8-13/h4-11,23H,1-3H3/b21-17+
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n/an/a 5.61E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM50719
PNG
(2-furancarboxylic acid [3-[(E)-3-methoxyprop-1-eny...)
Show SMILES COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3ccco3)C(=O)C2=CO1
Show InChI InChI=1S/C19H16O7/c1-19(26-18(22)15-6-4-8-24-15)16(20)10-12-9-13(5-3-7-23-2)25-11-14(12)17(19)21/h3-6,8-11H,7H2,1-2H3/b5-3+
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n/an/a 5.94E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM46563
PNG
(4-chloranyl-N-[1-(phenylmethyl)pyrrolo[3,2-b]quino...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1cc2nc3ccccc3nc2n1Cc1ccccc1
Show InChI InChI=1S/C23H17ClN4O2S/c24-17-10-12-18(13-11-17)31(29,30)27-22-14-21-23(26-20-9-5-4-8-19(20)25-21)28(22)15-16-6-2-1-3-7-16/h1-14,27H,15H2
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n/an/a 6.05E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54919
PNG
(2-furancarboxylic acid [4-[(E)-2-(1H-benzimidazol-...)
Show SMILES COc1cc(\C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1ccco1
Show InChI InChI=1S/C22H15N3O4/c1-27-20-12-14(8-9-18(20)29-22(26)19-7-4-10-28-19)11-15(13-23)21-24-16-5-2-3-6-17(16)25-21/h2-12H,1H3,(H,24,25)/b15-11+
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n/an/a 6.22E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM40033
PNG
(MLS000087247 | N-(4-chlorobenzyl)-5-(2-thienyl)iso...)
Show SMILES Clc1ccc(CNC(=O)c2cc(on2)-c2cccs2)cc1
Show InChI InChI=1S/C15H11ClN2O2S/c16-11-5-3-10(4-6-11)9-17-15(19)12-8-13(20-18-12)14-2-1-7-21-14/h1-8H,9H2,(H,17,19)
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n/an/a 6.31E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54913
PNG
(2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]dia...)
Show SMILES O=C(CC1Nc2cccc3cccc(NC1=O)c23)Nc1ccccc1
Show InChI InChI=1S/C20H17N3O2/c24-18(21-14-8-2-1-3-9-14)12-17-20(25)23-16-11-5-7-13-6-4-10-15(22-17)19(13)16/h1-11,17,22H,12H2,(H,21,24)(H,23,25)
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n/an/a 6.36E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM44453
PNG
(MLS000102133 | N-[(1,2-dimethyl-5-indolyl)methyl]-...)
Show SMILES Cc1cc2cc(CNC(=O)c3ccc(cc3)S(=O)(=O)N3CCCCC3)ccc2n1C
Show InChI InChI=1S/C23H27N3O3S/c1-17-14-20-15-18(6-11-22(20)25(17)2)16-24-23(27)19-7-9-21(10-8-19)30(28,29)26-12-4-3-5-13-26/h6-11,14-15H,3-5,12-13,16H2,1-2H3,(H,24,27)
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n/an/a 6.45E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM50618
PNG
(3-(4-Carboxy-benzyl)-4-(3,5-di-tert-butyl-4-hydrox...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1cs\c(=[NH+]/c2ccccc2)n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H34N2O3S/c1-30(2,3)24-16-22(17-25(27(24)34)31(4,5)6)26-19-37-29(32-23-10-8-7-9-11-23)33(26)18-20-12-14-21(15-13-20)28(35)36/h7-17,19,34H,18H2,1-6H3,(H,35,36)/p+1/b32-29-
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n/an/a 6.69E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54914
PNG
(4,5-Dichloro-N-quinolin-8-yl-phthalamic acid | 4,5...)
Show SMILES OC(=O)c1cc(Cl)c(Cl)cc1C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C17H10Cl2N2O3/c18-12-7-10(11(17(23)24)8-13(12)19)16(22)21-14-5-1-3-9-4-2-6-20-15(9)14/h1-8H,(H,21,22)(H,23,24)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54925
PNG
(MLS000708868 | N-(2-furanylmethyl)-2-(4-oxo-5-phen...)
Show SMILES O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NCc1ccco1
Show InChI InChI=1S/C19H15N3O3S/c23-16(20-9-14-7-4-8-25-14)10-22-12-21-18-17(19(22)24)15(11-26-18)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,20,23)
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n/an/a 7.29E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54938
PNG
(2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]su...)
Show SMILES Cc1c(sc2nc(CSc3ncc(cc3Cl)C(F)(F)F)[nH]c(=O)c12)C(O)=O
Show InChI InChI=1S/C15H9ClF3N3O3S2/c1-5-9-11(23)21-8(22-13(9)27-10(5)14(24)25)4-26-12-7(16)2-6(3-20-12)15(17,18)19/h2-3H,4H2,1H3,(H,24,25)(H,21,22,23)
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n/an/a 7.65E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM50416
PNG
(MLS000664114 | N-(4-acetylphenyl)-2-(3-oxo-1,2,3,4...)
Show SMILES CC(=O)c1ccc(NC(=O)CC2Nc3cccc4cccc(NC2=O)c34)cc1
Show InChI InChI=1S/C22H19N3O3/c1-13(26)14-8-10-16(11-9-14)23-20(27)12-19-22(28)25-18-7-3-5-15-4-2-6-17(24-19)21(15)18/h2-11,19,24H,12H2,1H3,(H,23,27)(H,25,28)
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n/an/a 8.51E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM48706
PNG
((E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoy...)
Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(cc3)C(C)C)cc2)s1
Show InChI InChI=1S/C23H25N5O3S3/c1-4-21-26-27-23(33-21)28-34(30,31)19-12-10-18(11-13-19)24-22(32)25-20(29)14-7-16-5-8-17(9-6-16)15(2)3/h5-15H,4H2,1-3H3,(H,27,28)(H2,24,25,29,32)
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n/an/a 8.87E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54930
PNG
((4-{[(8-allyl-2-oxo-2H-chromen-3-yl)carbonyl]amino...)
Show SMILES OC(=O)Cc1ccc(NC(=O)c2cc3cccc(CC=C)c3oc2=O)cc1
Show InChI InChI=1S/C21H17NO5/c1-2-4-14-5-3-6-15-12-17(21(26)27-19(14)15)20(25)22-16-9-7-13(8-10-16)11-18(23)24/h2-3,5-10,12H,1,4,11H2,(H,22,25)(H,23,24)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54923
PNG
(4-acetyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyri...)
Show SMILES CC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ccc2nnc(C)n2n1
Show InChI InChI=1S/C20H17N5O3S/c1-13(26)15-5-9-18(10-6-15)29(27,28)24-17-7-3-16(4-8-17)19-11-12-20-22-21-14(2)25(20)23-19/h3-12,24H,1-2H3
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n/an/a 9.93E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM50919
PNG
(2-methoxyethyl 4-amino-3-(2-methoxyethyl)-2-sulfan...)
Show SMILES COCCOC(=O)c1sc(=S)n(CCOC)c1N
Show InChI InChI=1S/C10H16N2O4S2/c1-14-4-3-12-8(11)7(18-10(12)17)9(13)16-6-5-15-2/h3-6,11H2,1-2H3
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n/an/a 1.06E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54942
PNG
(3-(1,3-dioxo-2-isoindolyl)-N-(4-sulfamoylphenyl)be...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C21H15N3O5S/c22-30(28,29)16-10-8-14(9-11-16)23-19(25)13-4-3-5-15(12-13)24-20(26)17-6-1-2-7-18(17)21(24)27/h1-12H,(H,23,25)(H2,22,28,29)
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n/an/a 1.06E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54926
PNG
(3-(4-nitrophenyl)-2H-phthalazine-1,4-dione | 3-(4-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1[nH]c(=O)c2ccccc2c1=O
Show InChI InChI=1S/C14H9N3O4/c18-13-11-3-1-2-4-12(11)14(19)16(15-13)9-5-7-10(8-6-9)17(20)21/h1-8H,(H,15,18)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54946
PNG
((2S)-2-[[(2S)-1-oxo-2-[[1-oxo-3-(3,5,9-trimethyl-7...)
Show SMILES C[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C29H30N2O7/c1-15-14-37-25-17(3)26-22(13-21(15)25)16(2)20(29(36)38-26)10-11-24(32)30-18(4)27(33)31-23(28(34)35)12-19-8-6-5-7-9-19/h5-9,13-14,18,23H,10-12H2,1-4H3,(H,30,32)(H,31,33)(H,34,35)/t18-,23-/m0/s1
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n/an/a 1.14E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM50472
PNG
(4-[3-[(4-phenylbenzoyl)amino]phenoxy]phthalic acid...)
Show SMILES OC(=O)c1ccc(Oc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)cc1C(O)=O
Show InChI InChI=1S/C27H19NO6/c29-25(19-11-9-18(10-12-19)17-5-2-1-3-6-17)28-20-7-4-8-21(15-20)34-22-13-14-23(26(30)31)24(16-22)27(32)33/h1-16H,(H,28,29)(H,30,31)(H,32,33)
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n/an/a 1.16E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54901
PNG
(3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyet...)
Show SMILES COCCn1nnnc1C(N1CCc2ccccc2C1)c1cc2ccc(OC)cc2[nH]c1=O
Show InChI InChI=1S/C24H26N6O3/c1-32-12-11-30-23(26-27-28-30)22(29-10-9-16-5-3-4-6-18(16)15-29)20-13-17-7-8-19(33-2)14-21(17)25-24(20)31/h3-8,13-14,22H,9-12,15H2,1-2H3,(H,25,31)
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n/an/a 1.18E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM33093
PNG
(MLS000537607 | SMR000161417 | cid_990752 | dimethy...)
Show SMILES COC(=O)c1c(C(=O)OC)c2cccc3cc(-c4ccccc4)c4ccc1c4n23
Show InChI InChI=1S/C24H17NO4/c1-28-23(26)20-17-12-11-16-18(14-7-4-3-5-8-14)13-15-9-6-10-19(25(15)22(16)17)21(20)24(27)29-2/h3-13H,1-2H3
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n/an/a 1.46E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54917
PNG
(4-[(3-chloranyl-1-benzothiophen-2-yl)methylideneam...)
Show SMILES Oc1ccc(cc1)\N=C\c1sc2ccccc2c1Cl
Show InChI InChI=1S/C15H10ClNOS/c16-15-12-3-1-2-4-13(12)19-14(15)9-17-10-5-7-11(18)8-6-10/h1-9,18H/b17-9+
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n/an/a 1.49E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54927
PNG
(4-(benzylamino)-1,2-naphthoquinone | 4-(benzylamin...)
Show SMILES O=C1C=C(NCc2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C17H13NO2/c19-16-10-15(18-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(16)20/h1-10,18H,11H2
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n/an/a 1.56E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54945
PNG
(MLS001116432 | N-butyl-N-[(2-keto-6-methoxy-1H-qui...)
Show SMILES CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H26N2O4S/c1-4-5-12-24(29(26,27)20-9-6-16(2)7-10-20)15-18-13-17-14-19(28-3)8-11-21(17)23-22(18)25/h6-11,13-14H,4-5,12,15H2,1-3H3,(H,23,25)
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n/an/a 1.72E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54936
PNG
(MLS001003216 | SMR000372853 | cid_2391838)
Show SMILES OC(=O)c1ccc(C=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1
Show InChI InChI=1S/C26H19N3O5S/c30-25(28-27-15-17-7-13-21(14-8-17)26(31)32)20-11-9-18(10-12-20)16-29-22-5-1-3-19-4-2-6-23(24(19)22)35(29,33)34/h1-15H,16H2,(H,28,30)(H,31,32)
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n/an/a 1.83E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54909
PNG
(3-[[4-chloro-5-[[(2-chlorobenzoyl)hydrazono]methyl...)
Show SMILES COC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3ccccc3Cl)sc2=O)c1
Show InChI InChI=1S/C20H15Cl2N3O4S/c1-29-19(27)13-6-4-5-12(9-13)11-25-17(22)16(30-20(25)28)10-23-24-18(26)14-7-2-3-8-15(14)21/h2-10H,11H2,1H3,(H,24,26)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM48827
PNG
(3-[(5Z)-4-keto-5-[[1-phenyl-3-(2-thienyl)pyrazol-4...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
Show InChI InChI=1S/C20H15N3O3S3/c24-17(25)8-9-22-19(26)16(29-20(22)27)11-13-12-23(14-5-2-1-3-6-14)21-18(13)15-7-4-10-28-15/h1-7,10-12H,8-9H2,(H,24,25)/b16-11-
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n/an/a 2.10E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54929
PNG
(2,4-bis(bromanyl)-6-[[(4-fluorophenyl)amino]methyl...)
Show SMILES Oc1c(Br)cc(Br)cc1CNc1ccc(F)cc1
Show InChI InChI=1S/C13H10Br2FNO/c14-9-5-8(13(18)12(15)6-9)7-17-11-3-1-10(16)2-4-11/h1-6,17-18H,7H2
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n/an/a 2.39E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54949
PNG
(MLS001149266 | N-[1-(4-imidazol-1-ylphenyl)ethyl]-...)
Show SMILES CSc1ccccc1C(=O)NC(C)c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C19H19N3OS/c1-14(21-19(23)17-5-3-4-6-18(17)24-2)15-7-9-16(10-8-15)22-12-11-20-13-22/h3-14H,1-2H3,(H,21,23)
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n/an/a 2.91E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54920
PNG
(2-[[4,5-bis(dimethylamino)-1-naphthalenyl]methylid...)
Show SMILES CN(C)c1cccc2c(C=C(C#N)C#N)ccc(N(C)C)c12
Show InChI InChI=1S/C18H18N4/c1-21(2)16-7-5-6-15-14(10-13(11-19)12-20)8-9-17(18(15)16)22(3)4/h5-10H,1-4H3
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n/an/a 3.19E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54905
PNG
(MLS000052794 | N-(1,3-benzodioxol-5-yl)-5,7-dimeth...)
Show SMILES Cc1cc(C)n2ncc(C(=O)Nc3ccc4OCOc4c3)c2n1
Show InChI InChI=1S/C16H14N4O3/c1-9-5-10(2)20-15(18-9)12(7-17-20)16(21)19-11-3-4-13-14(6-11)23-8-22-13/h3-7H,8H2,1-2H3,(H,19,21)
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n/an/a 4.28E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54912
PNG
(1-(4-Hydroxy-phenyl)-4-(4-hydroxy-phenylamino)-2-m...)
Show SMILES CCOC(=O)C1(C)CC(=Nc2ccc(O)cc2)C(=O)N1c1ccc(O)cc1
Show InChI InChI=1S/C20H20N2O5/c1-3-27-19(26)20(2)12-17(21-13-4-8-15(23)9-5-13)18(25)22(20)14-6-10-16(24)11-7-14/h4-11,23-24H,3,12H2,1-2H3
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n/an/a 5.07E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54902
PNG
(1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(...)
Show SMILES CC(NC(=O)Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C11H10F6N2O2/c1-9(10(12,13)14,11(15,16)17)19-8(21)18-6-2-4-7(20)5-3-6/h2-5,20H,1H3,(H2,18,19,21)
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n/an/a 5.94E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54918
PNG
(11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxylic a...)
Show SMILES CCC1=Nc2cc(ccc2Sc2ccccc12)C(O)=O
Show InChI InChI=1S/C16H13NO2S/c1-2-12-11-5-3-4-6-14(11)20-15-8-7-10(16(18)19)9-13(15)17-12/h3-9H,2H2,1H3,(H,18,19)
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n/an/a 7.18E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54931
PNG
(1-[(3,4-difluorobenzylidene)amino]-3-(3-pyridyl)th...)
Show SMILES Fc1ccc(C=NNC(=S)Nc2cccnc2)cc1F
Show InChI InChI=1S/C13H10F2N4S/c14-11-4-3-9(6-12(11)15)7-17-19-13(20)18-10-2-1-5-16-8-10/h1-8H,(H2,18,19,20)
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n/an/a 9.73E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54941
PNG
(3-(butylamino)-6-(4-chlorobenzyl)-2H-1,2,4-triazin...)
Show SMILES CCCCNc1nnc(Cc2ccc(Cl)cc2)c(=O)[nH]1
Show InChI InChI=1S/C14H17ClN4O/c1-2-3-8-16-14-17-13(20)12(18-19-14)9-10-4-6-11(15)7-5-10/h4-7H,2-3,8-9H2,1H3,(H2,16,17,19,20)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54904
PNG
(MLS000053162 | N-(1,3-benzodioxol-5-ylmethyl)-2-(3...)
Show SMILES COc1cc(CC(=O)NCc2ccc3OCOc3c2)cc(OC)c1OC
Show InChI InChI=1S/C19H21NO6/c1-22-16-7-13(8-17(23-2)19(16)24-3)9-18(21)20-10-12-4-5-14-15(6-12)26-11-25-14/h4-8H,9-11H2,1-3H3,(H,20,21)
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n/an/a 1.05E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54903
PNG
(2-hydroximino-N-[2-(1-methylpiperidin-1-ium-1-yl)e...)
Show SMILES C[N+]1(CCNC(=O)CN=O)CCCCC1
Show InChI InChI=1S/C10H19N3O2/c1-13(6-3-2-4-7-13)8-5-11-10(14)9-12-15/h2-9H2,1H3/p+1
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n/an/a 1.30E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54940
PNG
(3-[4-[(2-fluorobenzoyl)amino]phenoxy]-2-thenoic ac...)
Show SMILES OC(=O)c1sccc1Oc1ccc(NC(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C18H12FNO4S/c19-14-4-2-1-3-13(14)17(21)20-11-5-7-12(8-6-11)24-15-9-10-25-16(15)18(22)23/h1-10H,(H,20,21)(H,22,23)
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n/an/a 1.68E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM34675
PNG
(Furan-2-carboxylic acid [1-butyl-3-(toluene-4-sulf...)
Show SMILES CCCCn1c(NC(=O)c2ccco2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H24N4O4S/c1-3-4-15-30-24-22(27-19-8-5-6-9-20(19)28-24)23(25(30)29-26(31)21-10-7-16-34-21)35(32,33)18-13-11-17(2)12-14-18/h5-14,16H,3-4,15H2,1-2H3,(H,29,31)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%