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21 similar compounds to monomer 91540

Compile data set for download or QSAR
Wt: 379.4
BDBM91553
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Wt: 339.4
BDBM91554
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Wt: 339.4
BDBM91555
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Wt: 349.4
BDBM91570
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Wt: 333.4
BDBM91571
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Wt: 333.4
BDBM91572
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Wt: 427.5
BDBM50352217
Wt: 443.9
BDBM50352218
Wt: 488.4
BDBM50352219
Wt: 439.5
BDBM50352220
Wt: 425.5
BDBM50352221
Wt: 478.4
BDBM50352224
Wt: 539.2
BDBM50352225
Wt: 474.4
BDBM50352226
Wt: 573.7
BDBM50352232
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 91553,91554,91555,91570,91571,91572,50352217,50352218,50352219,50352220,50352221,50352224,50352225,50352226,50352232   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM91553
PNG
(2-[3-(3,4-dimethoxyphenyl)-5-phenyl-2-pyrazolin-1-...)
Show SMILES COc1ccc(cc1OC)C1=NN(C(C1)c1ccccc1)c1nc(C)cs1
Show InChI InChI=1S/C21H21N3O2S/c1-14-13-27-21(22-14)24-18(15-7-5-4-6-8-15)12-17(23-24)16-9-10-19(25-2)20(11-16)26-3/h4-11,13,18H,12H2,1-3H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29Z93G0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50352232
PNG
(CHEMBL1821885)
Show SMILES Clc1ccc(cc1)-c1csc(n1)N1N=C(CC1c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H16Br2ClN3S/c25-18-7-1-15(2-8-18)21-13-23(17-3-9-19(26)10-4-17)30(29-21)24-28-22(14-31-24)16-5-11-20(27)12-6-16/h1-12,14,23H,13H2
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n/an/a 2.57E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant (His)6-tagged EGFR cytoplasmic domain (645-1186) autophosphorylation pre-incubated for 10 mins measured after 1 hrs by DELF...


Bioorg Med Chem Lett 21: 5374-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.010
BindingDB Entry DOI: 10.7270/Q2833SFM
More data for this
Ligand-Target Pair
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM91555
PNG
(4-methyl-2-[3-(3-methylphenyl)-5-thiophen-2-yl-3,4...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1cccc(C)c1)c1cccs1
Show InChI InChI=1S/C18H17N3S2/c1-12-5-3-6-14(9-12)16-10-15(17-7-4-8-22-17)20-21(16)18-19-13(2)11-23-18/h3-9,11,16H,10H2,1-2H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29Z93G0
More data for this
Ligand-Target Pair
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM91570
PNG
(2-[3-(4-methoxyphenyl)-5-phenyl-2-pyrazolin-1-yl]-...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1nc(C)cs1
Show InChI InChI=1S/C20H19N3OS/c1-14-13-25-20(21-14)23-19(16-6-4-3-5-7-16)12-18(22-23)15-8-10-17(24-2)11-9-15/h3-11,13,19H,12H2,1-2H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29Z93G0
More data for this
Ligand-Target Pair
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM91571
PNG
(4-methyl-2-[3-(o-tolyl)-5-phenyl-2-pyrazolin-1-yl]...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C20H19N3S/c1-14-8-6-7-11-17(14)18-12-19(16-9-4-3-5-10-16)23(22-18)20-21-15(2)13-24-20/h3-11,13,19H,12H2,1-2H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29Z93G0
More data for this
Ligand-Target Pair
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM91572
PNG
(4-methyl-2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydr...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C20H19N3S/c1-14-8-10-16(11-9-14)18-12-19(17-6-4-3-5-7-17)23(22-18)20-21-15(2)13-24-20/h3-11,13,19H,12H2,1-2H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29Z93G0
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM91553
PNG
(2-[3-(3,4-dimethoxyphenyl)-5-phenyl-2-pyrazolin-1-...)
Show SMILES COc1ccc(cc1OC)C1=NN(C(C1)c1ccccc1)c1nc(C)cs1
Show InChI InChI=1S/C21H21N3O2S/c1-14-13-27-21(22-14)24-18(15-7-5-4-6-8-15)12-17(23-24)16-9-10-19(25-2)20(11-16)26-3/h4-11,13,18H,12H2,1-3H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2668BRK
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM91554
PNG
(4-methyl-2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccc(C)cc1)c1cccs1
Show InChI InChI=1S/C18H17N3S2/c1-12-5-7-14(8-6-12)16-10-15(17-4-3-9-22-17)20-21(16)18-19-13(2)11-23-18/h3-9,11,16H,10H2,1-2H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2668BRK
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM91555
PNG
(4-methyl-2-[3-(3-methylphenyl)-5-thiophen-2-yl-3,4...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1cccc(C)c1)c1cccs1
Show InChI InChI=1S/C18H17N3S2/c1-12-5-3-6-14(9-12)16-10-15(17-7-4-8-22-17)20-21(16)18-19-13(2)11-23-18/h3-9,11,16H,10H2,1-2H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2668BRK
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM91570
PNG
(2-[3-(4-methoxyphenyl)-5-phenyl-2-pyrazolin-1-yl]-...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1nc(C)cs1
Show InChI InChI=1S/C20H19N3OS/c1-14-13-25-20(21-14)23-19(16-6-4-3-5-7-16)12-18(22-23)15-8-10-17(24-2)11-9-15/h3-11,13,19H,12H2,1-2H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2668BRK
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM91571
PNG
(4-methyl-2-[3-(o-tolyl)-5-phenyl-2-pyrazolin-1-yl]...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C20H19N3S/c1-14-8-6-7-11-17(14)18-12-19(16-9-4-3-5-10-16)23(22-18)20-21-15(2)13-24-20/h3-11,13,19H,12H2,1-2H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2668BRK
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM91572
PNG
(4-methyl-2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydr...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C20H19N3S/c1-14-8-10-16(11-9-14)18-12-19(17-6-4-3-5-7-17)23(22-18)20-21-15(2)13-24-20/h3-11,13,19H,12H2,1-2H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2668BRK
More data for this
Ligand-Target Pair
botulinum neurotoxin type F, BoNT/F


(Clostridium botulinum Bf)
BDBM91553
PNG
(2-[3-(3,4-dimethoxyphenyl)-5-phenyl-2-pyrazolin-1-...)
Show SMILES COc1ccc(cc1OC)C1=NN(C(C1)c1ccccc1)c1nc(C)cs1
Show InChI InChI=1S/C21H21N3O2S/c1-14-13-27-21(22-14)24-18(15-7-5-4-6-8-15)12-17(23-24)16-9-10-19(25-2)20(11-16)26-3/h4-11,13,18H,12H2,1-3H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22F7M0T
More data for this
Ligand-Target Pair
botulinum neurotoxin type F, BoNT/F


(Clostridium botulinum Bf)
BDBM91554
PNG
(4-methyl-2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccc(C)cc1)c1cccs1
Show InChI InChI=1S/C18H17N3S2/c1-12-5-7-14(8-6-12)16-10-15(17-4-3-9-22-17)20-21(16)18-19-13(2)11-23-18/h3-9,11,16H,10H2,1-2H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22F7M0T
More data for this
Ligand-Target Pair
botulinum neurotoxin type F, BoNT/F


(Clostridium botulinum Bf)
BDBM91555
PNG
(4-methyl-2-[3-(3-methylphenyl)-5-thiophen-2-yl-3,4...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1cccc(C)c1)c1cccs1
Show InChI InChI=1S/C18H17N3S2/c1-12-5-3-6-14(9-12)16-10-15(17-7-4-8-22-17)20-21(16)18-19-13(2)11-23-18/h3-9,11,16H,10H2,1-2H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22F7M0T
More data for this
Ligand-Target Pair
botulinum neurotoxin type F, BoNT/F


(Clostridium botulinum Bf)
BDBM91570
PNG
(2-[3-(4-methoxyphenyl)-5-phenyl-2-pyrazolin-1-yl]-...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1nc(C)cs1
Show InChI InChI=1S/C20H19N3OS/c1-14-13-25-20(21-14)23-19(16-6-4-3-5-7-16)12-18(22-23)15-8-10-17(24-2)11-9-15/h3-11,13,19H,12H2,1-2H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22F7M0T
More data for this
Ligand-Target Pair
botulinum neurotoxin type F, BoNT/F


(Clostridium botulinum Bf)
BDBM91571
PNG
(4-methyl-2-[3-(o-tolyl)-5-phenyl-2-pyrazolin-1-yl]...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccccc1)c1ccccc1C
Show InChI InChI=1S/C20H19N3S/c1-14-8-6-7-11-17(14)18-12-19(16-9-4-3-5-10-16)23(22-18)20-21-15(2)13-24-20/h3-11,13,19H,12H2,1-2H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22F7M0T
More data for this
Ligand-Target Pair
botulinum neurotoxin type F, BoNT/F


(Clostridium botulinum Bf)
BDBM91572
PNG
(4-methyl-2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydr...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C20H19N3S/c1-14-8-10-16(11-9-14)18-12-19(17-6-4-3-5-7-17)23(22-18)20-21-15(2)13-24-20/h3-11,13,19H,12H2,1-2H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22F7M0T
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50352217
PNG
(CHEMBL1821862)
Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1ccc(F)cc1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C26H22FN3S/c1-17-8-9-21(14-18(17)2)23-15-25(20-10-12-22(27)13-11-20)30(29-23)26-28-24(16-31-26)19-6-4-3-5-7-19/h3-14,16,25H,15H2,1-2H3
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n/an/a 1.73E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant (His)6-tagged EGFR cytoplasmic domain (645-1186) autophosphorylation pre-incubated for 10 mins measured after 1 hrs by DELF...


Bioorg Med Chem Lett 21: 5374-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.010
BindingDB Entry DOI: 10.7270/Q2833SFM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50352218
PNG
(CHEMBL1821863)
Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1ccc(Cl)cc1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C26H22ClN3S/c1-17-8-9-21(14-18(17)2)23-15-25(20-10-12-22(27)13-11-20)30(29-23)26-28-24(16-31-26)19-6-4-3-5-7-19/h3-14,16,25H,15H2,1-2H3
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n/an/a 2.36E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant (His)6-tagged EGFR cytoplasmic domain (645-1186) autophosphorylation pre-incubated for 10 mins measured after 1 hrs by DELF...


Bioorg Med Chem Lett 21: 5374-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.010
BindingDB Entry DOI: 10.7270/Q2833SFM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50352219
PNG
(CHEMBL1821864)
Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1ccc(Br)cc1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C26H22BrN3S/c1-17-8-9-21(14-18(17)2)23-15-25(20-10-12-22(27)13-11-20)30(29-23)26-28-24(16-31-26)19-6-4-3-5-7-19/h3-14,16,25H,15H2,1-2H3
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n/an/a 1.84E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant (His)6-tagged EGFR cytoplasmic domain (645-1186) autophosphorylation pre-incubated for 10 mins measured after 1 hrs by DELF...


Bioorg Med Chem Lett 21: 5374-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.010
BindingDB Entry DOI: 10.7270/Q2833SFM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50352220
PNG
(CHEMBL1821866)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccccc1)c1ccc(C)c(C)c1
Show InChI InChI=1S/C27H25N3OS/c1-18-9-10-22(15-19(18)2)24-16-26(21-11-13-23(31-3)14-12-21)30(29-24)27-28-25(17-32-27)20-7-5-4-6-8-20/h4-15,17,26H,16H2,1-3H3
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n/an/a 3.08E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant (His)6-tagged EGFR cytoplasmic domain (645-1186) autophosphorylation pre-incubated for 10 mins measured after 1 hrs by DELF...


Bioorg Med Chem Lett 21: 5374-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.010
BindingDB Entry DOI: 10.7270/Q2833SFM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50352221
PNG
(CHEMBL1821867)
Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1ccc(O)cc1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C26H23N3OS/c1-17-8-9-21(14-18(17)2)23-15-25(20-10-12-22(30)13-11-20)29(28-23)26-27-24(16-31-26)19-6-4-3-5-7-19/h3-14,16,25,30H,15H2,1-2H3
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n/an/a 1.92E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant (His)6-tagged EGFR cytoplasmic domain (645-1186) autophosphorylation pre-incubated for 10 mins measured after 1 hrs by DELF...


Bioorg Med Chem Lett 21: 5374-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.010
BindingDB Entry DOI: 10.7270/Q2833SFM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50352224
PNG
(CHEMBL1821870)
Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1ccc(Cl)cc1)c1nc(cs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H21Cl2N3S/c1-16-3-4-20(13-17(16)2)23-14-25(19-7-11-22(28)12-8-19)31(30-23)26-29-24(15-32-26)18-5-9-21(27)10-6-18/h3-13,15,25H,14H2,1-2H3
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n/an/a 190n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant (His)6-tagged EGFR cytoplasmic domain (645-1186) autophosphorylation pre-incubated for 10 mins measured after 1 hrs by DELF...


Bioorg Med Chem Lett 21: 5374-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.010
BindingDB Entry DOI: 10.7270/Q2833SFM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50352225
PNG
(CHEMBL1821878)
Show SMILES Brc1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H17Br2N3S/c25-19-10-6-17(7-11-19)21-14-23(18-8-12-20(26)13-9-18)29(28-21)24-27-22(15-30-24)16-4-2-1-3-5-16/h1-13,15,23H,14H2
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n/an/a 8.95E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant (His)6-tagged EGFR cytoplasmic domain (645-1186) autophosphorylation pre-incubated for 10 mins measured after 1 hrs by DELF...


Bioorg Med Chem Lett 21: 5374-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.010
BindingDB Entry DOI: 10.7270/Q2833SFM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50352226
PNG
(CHEMBL1821879)
Show SMILES Cc1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H20BrN3S/c1-17-7-9-20(10-8-17)24-15-22(19-11-13-21(26)14-12-19)28-29(24)25-27-23(16-30-25)18-5-3-2-4-6-18/h2-14,16,24H,15H2,1H3
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n/an/a 1.96E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant (His)6-tagged EGFR cytoplasmic domain (645-1186) autophosphorylation pre-incubated for 10 mins measured after 1 hrs by DELF...


Bioorg Med Chem Lett 21: 5374-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.010
BindingDB Entry DOI: 10.7270/Q2833SFM
More data for this
Ligand-Target Pair
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM91554
PNG
(4-methyl-2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccc(C)cc1)c1cccs1
Show InChI InChI=1S/C18H17N3S2/c1-12-5-7-14(8-6-12)16-10-15(17-4-3-9-22-17)20-21(16)18-19-13(2)11-23-18/h3-9,11,16H,10H2,1-2H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29Z93G0
More data for this
Ligand-Target Pair