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34 similar compounds to monomer 5445

Compile data set for download or QSAR
Wt: 610.6
BDBM50189122
Wt: 559.0
BDBM50189123
Wt: 546.6
BDBM50189124
Wt: 596.6
BDBM50189125
Wt: 609.1
BDBM50189126
Wt: 623.1
BDBM50189127
Wt: 607.5
BDBM50189105
Wt: 671.1
BDBM50189106
Wt: 563.0
BDBM50189108
Wt: 577.0
BDBM50189109
Wt: 576.6
BDBM50189110
Wt: 609.1
BDBM50189112
Wt: 542.6
BDBM50189113
Wt: 596.6
BDBM50189115
Wt: 528.6
BDBM50189116
Displayed 1 to 15 (of 34 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50189122,50189123,50189124,50189125,50189126,50189127,50189105,50189106,50189108,50189109,50189110,50189112,50189113,50189115,50189116   
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
Aminoglycoside 2-O nucleotidyltransferase (ANT(2")-Ia)


(Klebsiella pneumoniae)
BDBM50189123
PNG
((4-benzyloxy-3-chloro-phenyl)-{6-[5-(1-oxo-1lambda...)
Show SMILES Clc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1
Show InChI InChI=1S/C30H27ClN4O3S/c31-26-17-23(7-10-29(26)37-19-21-4-2-1-3-5-21)34-30-25-16-22(6-9-27(25)32-20-33-30)28-11-8-24(38-28)18-35-12-14-39(36)15-13-35/h1-11,16-17,20H,12-15,18-19H2,(H,32,33,34)
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1.29E+4n/an/an/an/an/an/an/an/a



McMaster University



Assay Description
In vitro ANT(2")-Ia pyrophosphatase assays were performed as described previously (Cox et al., 2015; Hirsch et al., 2014), with minor modifications. ...


Cell Chem Biol 24: 98-109 (2017)


Article DOI: 10.1016/j.chembiol.2016.11.011
BindingDB Entry DOI: 10.7270/Q21Z437G
More data for this
Ligand-Target Pair
Aminoglycoside 2-O nucleotidyltransferase (ANT(2")-Ia)


(Klebsiella pneumoniae)
BDBM50189108
PNG
(CHEMBL380247 | GW574783B | N-(4-(benzyloxy)-3-chlo...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H27ClN4O4S/c1-39(35,36)14-13-31-17-23-9-12-27(38-23)21-7-10-26-24(15-21)29(33-19-32-26)34-22-8-11-28(25(30)16-22)37-18-20-5-3-2-4-6-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34)
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6.00E+4n/an/an/an/an/an/an/an/a



McMaster University



Assay Description
In vitro ANT(2")-Ia pyrophosphatase assays were performed as described previously (Cox et al., 2015; Hirsch et al., 2014), with minor modifications. ...


Cell Chem Biol 24: 98-109 (2017)


Article DOI: 10.1016/j.chembiol.2016.11.011
BindingDB Entry DOI: 10.7270/Q21Z437G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50189110
PNG
(CHEMBL215033 | N-(4-(3-fluorobenzyloxy)-3-methoxyp...)
Show SMILES COc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CNCCS(C)(=O)=O)o2)ccc1OCc1cccc(F)c1
Show InChI InChI=1S/C30H29FN4O5S/c1-38-29-16-23(7-10-28(29)39-18-20-4-3-5-22(31)14-20)35-30-25-15-21(6-9-26(25)33-19-34-30)27-11-8-24(40-27)17-32-12-13-41(2,36)37/h3-11,14-16,19,32H,12-13,17-18H2,1-2H3,(H,33,34,35)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB1


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50189115
PNG
(CHEMBL387207 | N-(4-(benzyloxy)-3-(trifluoromethyl...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C30H27F3N4O4S/c1-42(38,39)14-13-34-17-23-9-12-27(41-23)21-7-10-26-24(15-21)29(36-19-35-26)37-22-8-11-28(25(16-22)30(31,32)33)40-18-20-5-3-2-4-6-20/h2-12,15-16,19,34H,13-14,17-18H2,1H3,(H,35,36,37)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB1


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50189108
PNG
(CHEMBL380247 | GW574783B | N-(4-(benzyloxy)-3-chlo...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H27ClN4O4S/c1-39(35,36)14-13-31-17-23-9-12-27(38-23)21-7-10-26-24(15-21)29(33-19-32-26)34-22-8-11-28(25(30)16-22)37-18-20-5-3-2-4-6-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34)
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n/an/a 18n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB1


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50189116
PNG
(CHEMBL213342 | N-(4-(benzyloxy)phenyl)-6-(5-((2-(m...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
Show InChI InChI=1S/C29H28N4O4S/c1-38(34,35)16-15-30-18-25-12-14-28(37-25)22-7-13-27-26(17-22)29(32-20-31-27)33-23-8-10-24(11-9-23)36-19-21-5-3-2-4-6-21/h2-14,17,20,30H,15-16,18-19H2,1H3,(H,31,32,33)
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n/an/a 27n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB1


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50189112
PNG
(CHEMBL383965 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)
Show SMILES CCCS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C31H30ClFN4O4S/c1-2-13-42(38,39)14-12-34-18-25-8-11-29(41-25)22-6-9-28-26(16-22)31(36-20-35-28)37-24-7-10-30(27(32)17-24)40-19-21-4-3-5-23(33)15-21/h3-11,15-17,20,34H,2,12-14,18-19H2,1H3,(H,35,36,37)
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n/an/a 26n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50189116
PNG
(CHEMBL213342 | N-(4-(benzyloxy)phenyl)-6-(5-((2-(m...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
Show InChI InChI=1S/C29H28N4O4S/c1-38(34,35)16-15-30-18-25-12-14-28(37-25)22-7-13-27-26(17-22)29(32-20-31-27)33-23-8-10-24(11-9-23)36-19-21-5-3-2-4-6-21/h2-14,17,20,30H,15-16,18-19H2,1H3,(H,31,32,33)
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n/an/a 26n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50189105
PNG
(CHEMBL214689 | N-(4-(benzyloxy)-3-bromophenyl)-6-(...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Br)c3)c2c1
Show InChI InChI=1S/C29H27BrN4O4S/c1-39(35,36)14-13-31-17-23-9-12-27(38-23)21-7-10-26-24(15-21)29(33-19-32-26)34-22-8-11-28(25(30)16-22)37-18-20-5-3-2-4-6-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB1


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50189106
PNG
(CHEMBL445572 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)
Show SMILES CS(=O)(=O)CCN(Cc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)Cc1ccccc1
Show InChI InChI=1S/C36H32ClFN4O4S/c1-47(43,44)17-16-42(21-25-6-3-2-4-7-25)22-30-12-15-34(46-30)27-10-13-33-31(19-27)36(40-24-39-33)41-29-11-14-35(32(37)20-29)45-23-26-8-5-9-28(38)18-26/h2-15,18-20,24H,16-17,21-23H2,1H3,(H,39,40,41)
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n/an/a 141n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50189123
PNG
((4-benzyloxy-3-chloro-phenyl)-{6-[5-(1-oxo-1lambda...)
Show SMILES Clc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1
Show InChI InChI=1S/C30H27ClN4O3S/c31-26-17-23(7-10-29(26)37-19-21-4-2-1-3-5-21)34-30-25-16-22(6-9-27(25)32-20-33-30)28-11-8-24(38-28)18-35-12-14-39(36)15-13-35/h1-11,16-17,20H,12-15,18-19H2,(H,32,33,34)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB1


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50189125
PNG
(CHEMBL214419 | N-(4-(3-(trifluoromethyl)benzyloxy)...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(c4)C(F)(F)F)cc3)c2c1
Show InChI InChI=1S/C30H27F3N4O4S/c1-42(38,39)14-13-34-17-25-10-12-28(41-25)21-5-11-27-26(16-21)29(36-19-35-27)37-23-6-8-24(9-7-23)40-18-20-3-2-4-22(15-20)30(31,32)33/h2-12,15-16,19,34H,13-14,17-18H2,1H3,(H,35,36,37)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB1


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50189127
PNG
(CHEMBL212251 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)
Show SMILES CCCN(CCS(C)(=O)=O)Cc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C32H32ClFN4O4S/c1-3-13-38(14-15-43(2,39)40)19-26-9-12-30(42-26)23-7-10-29-27(17-23)32(36-21-35-29)37-25-8-11-31(28(33)18-25)41-20-22-5-4-6-24(34)16-22/h4-12,16-18,21H,3,13-15,19-20H2,1-2H3,(H,35,36,37)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50189127
PNG
(CHEMBL212251 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)
Show SMILES CCCN(CCS(C)(=O)=O)Cc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C32H32ClFN4O4S/c1-3-13-38(14-15-43(2,39)40)19-26-9-12-30(42-26)23-7-10-29-27(17-23)32(36-21-35-29)37-25-8-11-31(28(33)18-25)41-20-22-5-4-6-24(34)16-22/h4-12,16-18,21H,3,13-15,19-20H2,1-2H3,(H,35,36,37)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB1


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50189112
PNG
(CHEMBL383965 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)
Show SMILES CCCS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C31H30ClFN4O4S/c1-2-13-42(38,39)14-12-34-18-25-8-11-29(41-25)22-6-9-28-26(16-22)31(36-20-35-28)37-24-7-10-30(27(32)17-24)40-19-21-4-3-5-23(33)15-21/h3-11,15-17,20,34H,2,12-14,18-19H2,1H3,(H,35,36,37)
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n/an/a 21n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB1


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50189110
PNG
(CHEMBL215033 | N-(4-(3-fluorobenzyloxy)-3-methoxyp...)
Show SMILES COc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CNCCS(C)(=O)=O)o2)ccc1OCc1cccc(F)c1
Show InChI InChI=1S/C30H29FN4O5S/c1-38-29-16-23(7-10-28(29)39-18-20-4-3-5-22(31)14-20)35-30-25-15-21(6-9-26(25)33-19-34-30)27-11-8-24(40-27)17-32-12-13-41(2,36)37/h3-11,14-16,19,32H,12-13,17-18H2,1-2H3,(H,33,34,35)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50189106
PNG
(CHEMBL445572 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)
Show SMILES CS(=O)(=O)CCN(Cc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)Cc1ccccc1
Show InChI InChI=1S/C36H32ClFN4O4S/c1-47(43,44)17-16-42(21-25-6-3-2-4-7-25)22-30-12-15-34(46-30)27-10-13-33-31(19-27)36(40-24-39-33)41-29-11-14-35(32(37)20-29)45-23-26-8-5-9-28(38)18-26/h2-15,18-20,24H,16-17,21-23H2,1H3,(H,39,40,41)
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n/an/a 90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB1


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50189115
PNG
(CHEMBL387207 | N-(4-(benzyloxy)-3-(trifluoromethyl...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C30H27F3N4O4S/c1-42(38,39)14-13-34-17-23-9-12-27(41-23)21-7-10-26-24(15-21)29(36-19-35-26)37-22-8-11-28(25(16-22)30(31,32)33)40-18-20-5-3-2-4-6-20/h2-12,15-16,19,34H,13-14,17-18H2,1H3,(H,35,36,37)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50189122
PNG
(CHEMBL377250 | [4-(3-fluoro-benzyloxy)-3-trifluoro...)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CN4CCS(=O)CC4)o3)cc2C(F)(F)F)c1
Show InChI InChI=1S/C31H26F4N4O3S/c32-22-3-1-2-20(14-22)18-41-29-8-5-23(16-26(29)31(33,34)35)38-30-25-15-21(4-7-27(25)36-19-37-30)28-9-6-24(42-28)17-39-10-12-43(40)13-11-39/h1-9,14-16,19H,10-13,17-18H2,(H,36,37,38)
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n/an/a 141n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50189108
PNG
(CHEMBL380247 | GW574783B | N-(4-(benzyloxy)-3-chlo...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H27ClN4O4S/c1-39(35,36)14-13-31-17-23-9-12-27(38-23)21-7-10-26-24(15-21)29(33-19-32-26)34-22-8-11-28(25(30)16-22)37-18-20-5-3-2-4-6-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34)
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n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50189109
PNG
(CHEMBL212954 | [3-chloro-4-(3-fluoro-benzyloxy)-ph...)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CN4CCS(=O)CC4)o3)cc2Cl)c1
Show InChI InChI=1S/C30H26ClFN4O3S/c31-26-16-23(5-8-29(26)38-18-20-2-1-3-22(32)14-20)35-30-25-15-21(4-7-27(25)33-19-34-30)28-9-6-24(39-28)17-36-10-12-40(37)13-11-36/h1-9,14-16,19H,10-13,17-18H2,(H,33,34,35)
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n/an/a 28n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB1


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50189126
PNG
(CHEMBL214487 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)
Show SMILES CC(C)S(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C31H30ClFN4O4S/c1-20(2)42(38,39)13-12-34-17-25-8-11-29(41-25)22-6-9-28-26(15-22)31(36-19-35-28)37-24-7-10-30(27(32)16-24)40-18-21-4-3-5-23(33)14-21/h3-11,14-16,19-20,34H,12-13,17-18H2,1-2H3,(H,35,36,37)
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n/an/a 18n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB1


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50189124
PNG
(CHEMBL213818 | N-(4-(3-fluorobenzyloxy)phenyl)-6-(...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)cc3)c2c1
Show InChI InChI=1S/C29H27FN4O4S/c1-39(35,36)14-13-31-17-25-10-12-28(38-25)21-5-11-27-26(16-21)29(33-19-32-27)34-23-6-8-24(9-7-23)37-18-20-3-2-4-22(30)15-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34)
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n/an/a 24n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB1


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50189126
PNG
(CHEMBL214487 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)
Show SMILES CC(C)S(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C31H30ClFN4O4S/c1-20(2)42(38,39)13-12-34-17-25-8-11-29(41-25)22-6-9-28-26(15-22)31(36-19-35-28)37-24-7-10-30(27(32)16-24)40-18-21-4-3-5-23(33)14-21/h3-11,14-16,19-20,34H,12-13,17-18H2,1-2H3,(H,35,36,37)
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n/an/a 24n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50189124
PNG
(CHEMBL213818 | N-(4-(3-fluorobenzyloxy)phenyl)-6-(...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)cc3)c2c1
Show InChI InChI=1S/C29H27FN4O4S/c1-39(35,36)14-13-31-17-25-10-12-28(38-25)21-5-11-27-26(16-21)29(33-19-32-27)34-23-6-8-24(9-7-23)37-18-20-3-2-4-22(30)15-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34)
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n/an/a 31n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50189125
PNG
(CHEMBL214419 | N-(4-(3-(trifluoromethyl)benzyloxy)...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(c4)C(F)(F)F)cc3)c2c1
Show InChI InChI=1S/C30H27F3N4O4S/c1-42(38,39)14-13-34-17-25-10-12-28(41-25)21-5-11-27-26(16-21)29(36-19-35-27)37-23-6-8-24(9-7-23)40-18-20-3-2-4-22(15-20)30(31,32)33/h2-12,15-16,19,34H,13-14,17-18H2,1H3,(H,35,36,37)
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n/an/a 360n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50189123
PNG
((4-benzyloxy-3-chloro-phenyl)-{6-[5-(1-oxo-1lambda...)
Show SMILES Clc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1
Show InChI InChI=1S/C30H27ClN4O3S/c31-26-17-23(7-10-29(26)37-19-21-4-2-1-3-5-21)34-30-25-16-22(6-9-27(25)32-20-33-30)28-11-8-24(38-28)18-35-12-14-39(36)15-13-35/h1-11,16-17,20H,12-15,18-19H2,(H,32,33,34)
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n/an/a 23n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50189113
PNG
((4-benzyloxy-3-fluoro-phenyl)-{6-[5-(1-oxo-1lambda...)
Show SMILES Fc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1
Show InChI InChI=1S/C30H27FN4O3S/c31-26-17-23(7-10-29(26)37-19-21-4-2-1-3-5-21)34-30-25-16-22(6-9-27(25)32-20-33-30)28-11-8-24(38-28)18-35-12-14-39(36)15-13-35/h1-11,16-17,20H,12-15,18-19H2,(H,32,33,34)
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n/an/a 35n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50189122
PNG
(CHEMBL377250 | [4-(3-fluoro-benzyloxy)-3-trifluoro...)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CN4CCS(=O)CC4)o3)cc2C(F)(F)F)c1
Show InChI InChI=1S/C31H26F4N4O3S/c32-22-3-1-2-20(14-22)18-41-29-8-5-23(16-26(29)31(33,34)35)38-30-25-15-21(4-7-27(25)36-19-37-30)28-9-6-24(42-28)17-39-10-12-43(40)13-11-39/h1-9,14-16,19H,10-13,17-18H2,(H,36,37,38)
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n/an/a 89n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB1


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50189109
PNG
(CHEMBL212954 | [3-chloro-4-(3-fluoro-benzyloxy)-ph...)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CN4CCS(=O)CC4)o3)cc2Cl)c1
Show InChI InChI=1S/C30H26ClFN4O3S/c31-26-16-23(5-8-29(26)38-18-20-2-1-3-22(32)14-20)35-30-25-15-21(4-7-27(25)33-19-34-30)28-9-6-24(39-28)17-36-10-12-40(37)13-11-36/h1-9,14-16,19H,10-13,17-18H2,(H,33,34,35)
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n/an/a 18n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50189105
PNG
(CHEMBL214689 | N-(4-(benzyloxy)-3-bromophenyl)-6-(...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Br)c3)c2c1
Show InChI InChI=1S/C29H27BrN4O4S/c1-39(35,36)14-13-31-17-23-9-12-27(38-23)21-7-10-26-24(15-21)29(33-19-32-26)34-22-8-11-28(25(30)16-22)37-18-20-5-3-2-4-6-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50189113
PNG
((4-benzyloxy-3-fluoro-phenyl)-{6-[5-(1-oxo-1lambda...)
Show SMILES Fc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1
Show InChI InChI=1S/C30H27FN4O3S/c31-26-17-23(7-10-29(26)37-19-21-4-2-1-3-5-21)34-30-25-16-22(6-9-27(25)32-20-33-30)28-11-8-24(38-28)18-35-12-14-39(36)15-13-35/h1-11,16-17,20H,12-15,18-19H2,(H,32,33,34)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB1


Bioorg Med Chem Lett 16: 4686-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z
More data for this
Ligand-Target Pair