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13 similar compounds to monomer 50315888

Compile data set for download or QSAR
Wt: 571.6
BDBM50315898
Wt: 573.7
BDBM50315899
Wt: 614.7
BDBM50315885
Wt: 557.6
BDBM50315886
Wt: 593.7
BDBM50315889
Wt: 579.7
BDBM50315890
Wt: 573.6
BDBM50315905
Wt: 609.6
BDBM50315906
Wt: 588.6
BDBM50315891
Wt: 589.6
BDBM50315892
Wt: 587.6
BDBM50315893
Wt: 609.6
BDBM50315894
Wt: 622.1
BDBM50388872

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50315898,50315899,50315885,50315886,50315889,50315890,50315905,50315906,50315891,50315892,50315893,50315894,50388872   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50315893
PNG
(CHEMBL1090356 | N-(3-(5-(2-(4-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(21-23-5-2-1-3-6-23)35-26-8-4-7-24(22-26)30-31(40-17-20-43-33(40)38-30)28-13-14-34-32(37-28)36-25-9-11-27(12-10-25)39-15-18-42-19-16-39/h1-14,17,20,22H,15-16,18-19,21H2,(H,35,41)(H,34,36,37)
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32n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


ACS Med Chem Lett 3: 383-386 (2012)


Article DOI: 10.1021/ml300012r
BindingDB Entry DOI: 10.7270/Q2B56KTH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50315893
PNG
(CHEMBL1090356 | N-(3-(5-(2-(4-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(21-23-5-2-1-3-6-23)35-26-8-4-7-24(22-26)30-31(40-17-20-43-33(40)38-30)28-13-14-34-32(37-28)36-25-9-11-27(12-10-25)39-15-18-42-19-16-39/h1-14,17,20,22H,15-16,18-19,21H2,(H,35,41)(H,34,36,37)
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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LCK


ACS Med Chem Lett 3: 383-386 (2012)


Article DOI: 10.1021/ml300012r
BindingDB Entry DOI: 10.7270/Q2B56KTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50388872
PNG
(CHEMBL2062938)
Show SMILES Clc1ccc(cc1NC(=O)Cc1ccccc1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C33H28ClN7O2S/c34-26-11-6-23(21-28(26)37-29(42)20-22-4-2-1-3-5-22)30-31(41-16-19-44-33(41)39-30)27-12-13-35-32(38-27)36-24-7-9-25(10-8-24)40-14-17-43-18-15-40/h1-13,16,19,21H,14-15,17-18,20H2,(H,37,42)(H,35,36,38)
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79n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LCK


ACS Med Chem Lett 3: 383-386 (2012)


Article DOI: 10.1021/ml300012r
BindingDB Entry DOI: 10.7270/Q2B56KTH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50388872
PNG
(CHEMBL2062938)
Show SMILES Clc1ccc(cc1NC(=O)Cc1ccccc1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C33H28ClN7O2S/c34-26-11-6-23(21-28(26)37-29(42)20-22-4-2-1-3-5-22)30-31(41-16-19-44-33(41)39-30)27-12-13-35-32(38-27)36-24-7-9-25(10-8-24)40-14-17-43-18-15-40/h1-13,16,19,21H,14-15,17-18,20H2,(H,37,42)(H,35,36,38)
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<1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


ACS Med Chem Lett 3: 383-386 (2012)


Article DOI: 10.1021/ml300012r
BindingDB Entry DOI: 10.7270/Q2B56KTH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50315886
PNG
(2-phenyl-N-(3-(5-(2-(1,2,3,4-tetrahydroisoquinolin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc3CNCCc3c2)n1
Show InChI InChI=1S/C32H27N7OS/c40-28(17-21-5-2-1-3-6-21)35-25-8-4-7-23(19-25)29-30(39-15-16-41-32(39)38-29)27-12-14-34-31(37-27)36-26-10-9-24-20-33-13-11-22(24)18-26/h1-10,12,14-16,18-19,33H,11,13,17,20H2,(H,35,40)(H,34,36,37)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR intracellular phosphorylation in human A431 cells by ELISA


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50315889
PNG
(2-cyclohexyl-N-(3-(5-(2-(4-morpholinophenylamino)p...)
Show SMILES O=C(CC1CCCCC1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C33H35N7O2S/c41-29(21-23-5-2-1-3-6-23)35-26-8-4-7-24(22-26)30-31(40-17-20-43-33(40)38-30)28-13-14-34-32(37-28)36-25-9-11-27(12-10-25)39-15-18-42-19-16-39/h4,7-14,17,20,22-23H,1-3,5-6,15-16,18-19,21H2,(H,35,41)(H,34,36,37)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315890
PNG
(2-cyclopentyl-N-(3-(5-(2-(4-morpholinophenylamino)...)
Show SMILES O=C(CC1CCCC1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C32H33N7O2S/c40-28(20-22-4-1-2-5-22)34-25-7-3-6-23(21-25)29-30(39-16-19-42-32(39)37-29)27-12-13-33-31(36-27)35-24-8-10-26(11-9-24)38-14-17-41-18-15-38/h3,6-13,16,19,21-22H,1-2,4-5,14-15,17-18,20H2,(H,34,40)(H,33,35,36)
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n/an/a 580n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50315890
PNG
(2-cyclopentyl-N-(3-(5-(2-(4-morpholinophenylamino)...)
Show SMILES O=C(CC1CCCC1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C32H33N7O2S/c40-28(20-22-4-1-2-5-22)34-25-7-3-6-23(21-25)29-30(39-16-19-42-32(39)37-29)27-12-13-33-31(36-27)35-24-8-10-26(11-9-24)38-14-17-41-18-15-38/h3,6-13,16,19,21-22H,1-2,4-5,14-15,17-18,20H2,(H,34,40)(H,33,35,36)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315891
PNG
(1-(3-(5-(2-(4-morpholinophenylamino)pyrimidin-4-yl...)
Show SMILES O=C(Nc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C32H28N8O2S/c41-31(35-23-6-2-1-3-7-23)36-25-8-4-5-22(21-25)28-29(40-17-20-43-32(40)38-28)27-13-14-33-30(37-27)34-24-9-11-26(12-10-24)39-15-18-42-19-16-39/h1-14,17,20-21H,15-16,18-19H2,(H,33,34,37)(H2,35,36,41)
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n/an/a 590n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50315891
PNG
(1-(3-(5-(2-(4-morpholinophenylamino)pyrimidin-4-yl...)
Show SMILES O=C(Nc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C32H28N8O2S/c41-31(35-23-6-2-1-3-7-23)36-25-8-4-5-22(21-25)28-29(40-17-20-43-32(40)38-28)27-13-14-33-30(37-27)34-24-9-11-26(12-10-24)39-15-18-42-19-16-39/h1-14,17,20-21H,15-16,18-19H2,(H,33,34,37)(H2,35,36,41)
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n/an/a 170n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315892
PNG
(CHEMBL1090355 | phenyl 3-(5-(2-(4-morpholinophenyl...)
Show SMILES O=C(Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)Oc1ccccc1
Show InChI InChI=1S/C32H27N7O3S/c40-32(42-26-7-2-1-3-8-26)35-24-6-4-5-22(21-24)28-29(39-17-20-43-31(39)37-28)27-13-14-33-30(36-27)34-23-9-11-25(12-10-23)38-15-18-41-19-16-38/h1-14,17,20-21H,15-16,18-19H2,(H,35,40)(H,33,34,36)
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n/an/a 450n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50315892
PNG
(CHEMBL1090355 | phenyl 3-(5-(2-(4-morpholinophenyl...)
Show SMILES O=C(Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)Oc1ccccc1
Show InChI InChI=1S/C32H27N7O3S/c40-32(42-26-7-2-1-3-8-26)35-24-6-4-5-22(21-24)28-29(39-17-20-43-31(39)37-28)27-13-14-33-30(36-27)34-23-9-11-25(12-10-23)38-15-18-41-19-16-38/h1-14,17,20-21H,15-16,18-19H2,(H,35,40)(H,33,34,36)
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n/an/a 170n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315893
PNG
(CHEMBL1090356 | N-(3-(5-(2-(4-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(21-23-5-2-1-3-6-23)35-26-8-4-7-24(22-26)30-31(40-17-20-43-33(40)38-30)28-13-14-34-32(37-28)36-25-9-11-27(12-10-25)39-15-18-42-19-16-39/h1-14,17,20,22H,15-16,18-19,21H2,(H,35,41)(H,34,36,37)
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n/an/a 130n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50315893
PNG
(CHEMBL1090356 | N-(3-(5-(2-(4-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(21-23-5-2-1-3-6-23)35-26-8-4-7-24(22-26)30-31(40-17-20-43-33(40)38-30)28-13-14-34-32(37-28)36-25-9-11-27(12-10-25)39-15-18-42-19-16-39/h1-14,17,20,22H,15-16,18-19,21H2,(H,35,41)(H,34,36,37)
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n/an/a 370n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315894
PNG
(2,6-difluoro-N-(3-(5-(2-(3-morpholinophenylamino)p...)
Show SMILES Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C32H25F2N7O2S/c33-24-8-3-9-25(34)27(24)30(42)36-21-5-1-4-20(18-21)28-29(41-14-17-44-32(41)39-28)26-10-11-35-31(38-26)37-22-6-2-7-23(19-22)40-12-15-43-16-13-40/h1-11,14,17-19H,12-13,15-16H2,(H,36,42)(H,35,37,38)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50315894
PNG
(2,6-difluoro-N-(3-(5-(2-(3-morpholinophenylamino)p...)
Show SMILES Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C32H25F2N7O2S/c33-24-8-3-9-25(34)27(24)30(42)36-21-5-1-4-20(18-21)28-29(41-14-17-44-32(41)39-28)26-10-11-35-31(38-26)37-22-6-2-7-23(19-22)40-12-15-43-16-13-40/h1-11,14,17-19H,12-13,15-16H2,(H,36,42)(H,35,37,38)
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n/an/a 86n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315898
PNG
(CHEMBL1090361 | N-(3-(5-(2-(2-methyl-1,2,3,4-tetra...)
Show SMILES CN1CCc2cc(Nc3nccc(n3)-c3c(nc4sccn34)-c3cccc(NC(=O)Cc4ccccc4)c3)ccc2C1
Show InChI InChI=1S/C33H29N7OS/c1-39-15-13-23-19-27(11-10-25(23)21-39)36-32-34-14-12-28(37-32)31-30(38-33-40(31)16-17-42-33)24-8-5-9-26(20-24)35-29(41)18-22-6-3-2-4-7-22/h2-12,14,16-17,19-20H,13,15,18,21H2,1H3,(H,35,41)(H,34,36,37)
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n/an/a 81n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50315898
PNG
(CHEMBL1090361 | N-(3-(5-(2-(2-methyl-1,2,3,4-tetra...)
Show SMILES CN1CCc2cc(Nc3nccc(n3)-c3c(nc4sccn34)-c3cccc(NC(=O)Cc4ccccc4)c3)ccc2C1
Show InChI InChI=1S/C33H29N7OS/c1-39-15-13-23-19-27(11-10-25(23)21-39)36-32-34-14-12-28(37-32)31-30(38-33-40(31)16-17-42-33)24-8-5-9-26(20-24)35-29(41)18-22-6-3-2-4-7-22/h2-12,14,16-17,19-20H,13,15,18,21H2,1H3,(H,35,41)(H,34,36,37)
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n/an/a 160n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50315885
PNG
(CHEMBL1090362 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)Cc3ccccc3)c2)cc1
Show InChI InChI=1S/C35H34N8OS/c1-2-41-17-19-42(20-18-41)29-13-11-27(12-14-29)38-34-36-16-15-30(39-34)33-32(40-35-43(33)21-22-45-35)26-9-6-10-28(24-26)37-31(44)23-25-7-4-3-5-8-25/h3-16,21-22,24H,2,17-20,23H2,1H3,(H,37,44)(H,36,38,39)
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n/an/a 170n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315899
PNG
(CHEMBL1090363 | N-(3-(5-(2-(3-(2-(dimethylamino)et...)
Show SMILES CN(C)CCc1cccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)Cc3ccccc3)c2)c1
Show InChI InChI=1S/C33H31N7OS/c1-39(2)17-15-24-10-6-12-26(20-24)36-32-34-16-14-28(37-32)31-30(38-33-40(31)18-19-42-33)25-11-7-13-27(22-25)35-29(41)21-23-8-4-3-5-9-23/h3-14,16,18-20,22H,15,17,21H2,1-2H3,(H,35,41)(H,34,36,37)
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n/an/a 46n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50315899
PNG
(CHEMBL1090363 | N-(3-(5-(2-(3-(2-(dimethylamino)et...)
Show SMILES CN(C)CCc1cccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)Cc3ccccc3)c2)c1
Show InChI InChI=1S/C33H31N7OS/c1-39(2)17-15-24-10-6-12-26(20-24)36-32-34-16-14-28(37-32)31-30(38-33-40(31)18-19-42-33)25-11-7-13-27(22-25)35-29(41)21-23-8-4-3-5-9-23/h3-14,16,18-20,22H,15,17,21H2,1-2H3,(H,35,41)(H,34,36,37)
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n/an/a 150n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50315886
PNG
(2-phenyl-N-(3-(5-(2-(1,2,3,4-tetrahydroisoquinolin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc3CNCCc3c2)n1
Show InChI InChI=1S/C32H27N7OS/c40-28(17-21-5-2-1-3-6-21)35-25-8-4-7-23(19-25)29-30(39-15-16-41-32(39)38-29)27-12-14-34-31(37-27)36-26-10-9-24-20-33-13-11-22(24)18-26/h1-10,12,14-16,18-19,33H,11,13,17,20H2,(H,35,40)(H,34,36,37)
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n/an/a 55n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315885
PNG
(CHEMBL1090362 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)Cc3ccccc3)c2)cc1
Show InChI InChI=1S/C35H34N8OS/c1-2-41-17-19-42(20-18-41)29-13-11-27(12-14-29)38-34-36-16-15-30(39-34)33-32(40-35-43(33)21-22-45-35)26-9-6-10-28(24-26)37-31(44)23-25-7-4-3-5-8-25/h3-16,21-22,24H,2,17-20,23H2,1H3,(H,37,44)(H,36,38,39)
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n/an/a 41n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50315885
PNG
(CHEMBL1090362 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)Cc3ccccc3)c2)cc1
Show InChI InChI=1S/C35H34N8OS/c1-2-41-17-19-42(20-18-41)29-13-11-27(12-14-29)38-34-36-16-15-30(39-34)33-32(40-35-43(33)21-22-45-35)26-9-6-10-28(24-26)37-31(44)23-25-7-4-3-5-8-25/h3-16,21-22,24H,2,17-20,23H2,1H3,(H,37,44)(H,36,38,39)
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n/an/a 350n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR intracellular phosphorylation in human A431 cells by ELISA


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315905
PNG
(CHEMBL1090350 | N-(3-(5-(2-(4-morpholinophenylamin...)
Show SMILES O=C(Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)c1ccccc1
Show InChI InChI=1S/C32H27N7O2S/c40-30(22-5-2-1-3-6-22)34-25-8-4-7-23(21-25)28-29(39-17-20-42-32(39)37-28)27-13-14-33-31(36-27)35-24-9-11-26(12-10-24)38-15-18-41-19-16-38/h1-14,17,20-21H,15-16,18-19H2,(H,34,40)(H,33,35,36)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50315905
PNG
(CHEMBL1090350 | N-(3-(5-(2-(4-morpholinophenylamin...)
Show SMILES O=C(Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)c1ccccc1
Show InChI InChI=1S/C32H27N7O2S/c40-30(22-5-2-1-3-6-22)34-25-8-4-7-23(21-25)28-29(39-17-20-42-32(39)37-28)27-13-14-33-31(36-27)35-24-9-11-26(12-10-24)38-15-18-41-19-16-38/h1-14,17,20-21H,15-16,18-19H2,(H,34,40)(H,33,35,36)
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n/an/a 4.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315906
PNG
(2,6-difluoro-N-(3-(5-(2-(4-morpholinophenylamino)p...)
Show SMILES Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C32H25F2N7O2S/c33-24-5-2-6-25(34)27(24)30(42)36-22-4-1-3-20(19-22)28-29(41-15-18-44-32(41)39-28)26-11-12-35-31(38-26)37-21-7-9-23(10-8-21)40-13-16-43-17-14-40/h1-12,15,18-19H,13-14,16-17H2,(H,36,42)(H,35,37,38)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50315906
PNG
(2,6-difluoro-N-(3-(5-(2-(4-morpholinophenylamino)p...)
Show SMILES Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C32H25F2N7O2S/c33-24-5-2-6-25(34)27(24)30(42)36-22-4-1-3-20(19-22)28-29(41-15-18-44-32(41)39-28)26-11-12-35-31(38-26)37-21-7-9-23(10-8-21)40-13-16-43-17-14-40/h1-12,15,18-19H,13-14,16-17H2,(H,36,42)(H,35,37,38)
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n/an/a 86n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315889
PNG
(2-cyclohexyl-N-(3-(5-(2-(4-morpholinophenylamino)p...)
Show SMILES O=C(CC1CCCCC1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C33H35N7O2S/c41-29(21-23-5-2-1-3-6-23)35-26-8-4-7-24(22-26)30-31(40-17-20-43-33(40)38-30)28-13-14-34-32(37-28)36-25-9-11-27(12-10-25)39-15-18-42-19-16-39/h4,7-14,17,20,22-23H,1-3,5-6,15-16,18-19,21H2,(H,35,41)(H,34,36,37)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315886
PNG
(2-phenyl-N-(3-(5-(2-(1,2,3,4-tetrahydroisoquinolin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc3CNCCc3c2)n1
Show InChI InChI=1S/C32H27N7OS/c40-28(17-21-5-2-1-3-6-21)35-25-8-4-7-23(19-25)29-30(39-15-16-41-32(39)38-29)27-12-14-34-31(37-27)36-26-10-9-24-20-33-13-11-22(24)18-26/h1-10,12,14-16,18-19,33H,11,13,17,20H2,(H,35,40)(H,34,36,37)
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n/an/a 180n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315885
PNG
(CHEMBL1090362 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)Cc3ccccc3)c2)cc1
Show InChI InChI=1S/C35H34N8OS/c1-2-41-17-19-42(20-18-41)29-13-11-27(12-14-29)38-34-36-16-15-30(39-34)33-32(40-35-43(33)21-22-45-35)26-9-6-10-28(24-26)37-31(44)23-25-7-4-3-5-8-25/h3-16,21-22,24H,2,17-20,23H2,1H3,(H,37,44)(H,36,38,39)
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n/an/a 52n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315886
PNG
(2-phenyl-N-(3-(5-(2-(1,2,3,4-tetrahydroisoquinolin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc3CNCCc3c2)n1
Show InChI InChI=1S/C32H27N7OS/c40-28(17-21-5-2-1-3-6-21)35-25-8-4-7-23(19-25)29-30(39-15-16-41-32(39)38-29)27-12-14-34-31(37-27)36-26-10-9-24-20-33-13-11-22(24)18-26/h1-10,12,14-16,18-19,33H,11,13,17,20H2,(H,35,40)(H,34,36,37)
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n/an/a 27n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50315886
PNG
(2-phenyl-N-(3-(5-(2-(1,2,3,4-tetrahydroisoquinolin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc3CNCCc3c2)n1
Show InChI InChI=1S/C32H27N7OS/c40-28(17-21-5-2-1-3-6-21)35-25-8-4-7-23(19-25)29-30(39-15-16-41-32(39)38-29)27-12-14-34-31(37-27)36-26-10-9-24-20-33-13-11-22(24)18-26/h1-10,12,14-16,18-19,33H,11,13,17,20H2,(H,35,40)(H,34,36,37)
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n/an/a 120n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 intracellular phosphorylation in human N87 cells by ELISA


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50315885
PNG
(CHEMBL1090362 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)Cc3ccccc3)c2)cc1
Show InChI InChI=1S/C35H34N8OS/c1-2-41-17-19-42(20-18-41)29-13-11-27(12-14-29)38-34-36-16-15-30(39-34)33-32(40-35-43(33)21-22-45-35)26-9-6-10-28(24-26)37-31(44)23-25-7-4-3-5-8-25/h3-16,21-22,24H,2,17-20,23H2,1H3,(H,37,44)(H,36,38,39)
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n/an/a 310n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 intracellular phosphorylation in human N87 cells by ELISA


Bioorg Med Chem Lett 20: 2452-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.015
BindingDB Entry DOI: 10.7270/Q2M908VT
More data for this
Ligand-Target Pair