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PubMed code 20346655

Compile data set for download or QSAR
Found 117 hits of Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50315895
PNG
(CHEMBL1090357 | N-(3-(5-(2-(4-(2-(dimethylamino)et...)
Show SMILES CN(C)CCc1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1
Show InChI InChI=1S/C32H27F2N7OS/c1-40(2)16-14-20-9-11-22(12-10-20)37-31-35-15-13-26(38-31)29-28(39-32-41(29)17-18-43-32)21-5-3-6-23(19-21)36-30(42)27-24(33)7-4-8-25(27)34/h3-13,15,17-19H,14,16H2,1-2H3,(H,36,42)(H,35,37,38)
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n/an/a 4.30n/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)

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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50315903
PNG
(CHEMBL1093234 | N-(3-(5-(2-(phenylamino)pyrimidin-...)
Show SMILES O=C(Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C28H20N6OS/c35-26(19-8-3-1-4-9-19)30-22-13-7-10-20(18-22)24-25(34-16-17-36-28(34)33-24)23-14-15-29-27(32-23)31-21-11-5-2-6-12-21/h1-18H,(H,30,35)(H,29,31,32)
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n/an/a 6.30n/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50315897
PNG
(2,6-difluoro-N-(3-(5-(2-(1,2,3,4-tetrahydroisoquin...)
Show SMILES Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc3CNCCc3c2)n1
Show InChI InChI=1S/C31H23F2N7OS/c32-23-5-2-6-24(33)26(23)29(41)36-21-4-1-3-19(16-21)27-28(40-13-14-42-31(40)39-27)25-10-12-35-30(38-25)37-22-8-7-20-17-34-11-9-18(20)15-22/h1-8,10,12-16,34H,9,11,17H2,(H,36,41)(H,35,37,38)
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n/an/a 7.20n/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50315896
PNG
(CHEMBL1090358 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1
Show InChI InChI=1S/C34H30F2N8OS/c1-2-42-15-17-43(18-16-42)25-11-9-23(10-12-25)39-33-37-14-13-28(40-33)31-30(41-34-44(31)19-20-46-34)22-5-3-6-24(21-22)38-32(45)29-26(35)7-4-8-27(29)36/h3-14,19-21H,2,15-18H2,1H3,(H,38,45)(H,37,39,40)
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n/an/a 14n/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)

More data for this
Ligand-Target Pair
Tyrosine kinase-type cell surface receptor HER4


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 18n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErRB4


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

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315887
PNG
((1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidaz...)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12
Show InChI InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+
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n/an/a 18n/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)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 26n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lyn


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

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50315895
PNG
(CHEMBL1090357 | N-(3-(5-(2-(4-(2-(dimethylamino)et...)
Show SMILES CN(C)CCc1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1
Show InChI InChI=1S/C32H27F2N7OS/c1-40(2)16-14-20-9-11-22(12-10-20)37-31-35-15-13-26(38-31)29-28(39-32-41(29)17-18-43-32)21-5-3-6-23(19-21)36-30(42)27-24(33)7-4-8-25(27)34/h3-13,15,17-19H,14,16H2,1-2H3,(H,36,42)(H,35,37,38)
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n/an/a 27n/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)

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)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 29n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR


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

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 34n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50315902
PNG
(2-chloro-N-(3-(5-(2-(phenylamino)pyrimidin-4-yl)im...)
Show SMILES Clc1ccccc1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C28H19ClN6OS/c29-22-12-5-4-11-21(22)26(36)31-20-10-6-7-18(17-20)24-25(35-15-16-37-28(35)34-24)23-13-14-30-27(33-23)32-19-8-2-1-3-9-19/h1-17H,(H,31,36)(H,30,32,33)
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n/an/a 35n/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)

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)

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)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50315896
PNG
(CHEMBL1090358 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1
Show InChI InChI=1S/C34H30F2N8OS/c1-2-42-15-17-43(18-16-42)25-11-9-23(10-12-25)39-33-37-14-13-28(40-33)31-30(41-34-44(31)19-20-46-34)22-5-3-6-24(21-22)38-32(45)29-26(35)7-4-8-27(29)36/h3-14,19-21H,2,15-18H2,1H3,(H,38,45)(H,37,39,40)
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n/an/a 50n/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)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB | Lapatinib | N-{...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a 52n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 65n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora1


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

More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 65n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Flt4


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

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50315896
PNG
(CHEMBL1090358 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1
Show InChI InChI=1S/C34H30F2N8OS/c1-2-42-15-17-43(18-16-42)25-11-9-23(10-12-25)39-33-37-14-13-28(40-33)31-30(41-34-44(31)19-20-46-34)22-5-3-6-24(21-22)38-32(45)29-26(35)7-4-8-27(29)36/h3-14,19-21H,2,15-18H2,1H3,(H,38,45)(H,37,39,40)
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n/an/a 69n/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)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 71n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LCK


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

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 73n/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)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of InsR


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

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)

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)

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)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315897
PNG
(2,6-difluoro-N-(3-(5-(2-(1,2,3,4-tetrahydroisoquin...)
Show SMILES Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc3CNCCc3c2)n1
Show InChI InChI=1S/C31H23F2N7OS/c32-23-5-2-6-24(33)26(23)29(41)36-21-4-1-3-19(16-21)27-28(40-13-14-42-31(40)39-27)25-10-12-35-30(38-25)37-22-8-7-20-17-34-11-9-18(20)15-22/h1-8,10,12-16,34H,9,11,17H2,(H,36,41)(H,35,37,38)
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n/an/a 100n/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB | Lapatinib | N-{...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a 100n/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)

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)

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)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 140n/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)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315896
PNG
(CHEMBL1090358 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1
Show InChI InChI=1S/C34H30F2N8OS/c1-2-42-15-17-43(18-16-42)25-11-9-23(10-12-25)39-33-37-14-13-28(40-33)31-30(41-34-44(31)19-20-46-34)22-5-3-6-24(21-22)38-32(45)29-26(35)7-4-8-27(29)36/h3-14,19-21H,2,15-18H2,1H3,(H,38,45)(H,37,39,40)
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n/an/a 200n/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)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315895
PNG
(CHEMBL1090357 | N-(3-(5-(2-(4-(2-(dimethylamino)et...)
Show SMILES CN(C)CCc1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1
Show InChI InChI=1S/C32H27F2N7OS/c1-40(2)16-14-20-9-11-22(12-10-20)37-31-35-15-13-26(38-31)29-28(39-32-41(29)17-18-43-32)21-5-3-6-23(19-21)36-30(42)27-24(33)7-4-8-25(27)34/h3-13,15,17-19H,14,16H2,1-2H3,(H,36,42)(H,35,37,38)
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n/an/a 210n/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)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50315895
PNG
(CHEMBL1090357 | N-(3-(5-(2-(4-(2-(dimethylamino)et...)
Show SMILES CN(C)CCc1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1
Show InChI InChI=1S/C32H27F2N7OS/c1-40(2)16-14-20-9-11-22(12-10-20)37-31-35-15-13-26(38-31)29-28(39-32-41(29)17-18-43-32)21-5-3-6-23(19-21)36-30(42)27-24(33)7-4-8-25(27)34/h3-13,15,17-19H,14,16H2,1-2H3,(H,36,42)(H,35,37,38)
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n/an/a 220n/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)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315896
PNG
(CHEMBL1090358 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1
Show InChI InChI=1S/C34H30F2N8OS/c1-2-42-15-17-43(18-16-42)25-11-9-23(10-12-25)39-33-37-14-13-28(40-33)31-30(41-34-44(31)19-20-46-34)22-5-3-6-24(21-22)38-32(45)29-26(35)7-4-8-27(29)36/h3-14,19-21H,2,15-18H2,1H3,(H,38,45)(H,37,39,40)
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n/an/a 230n/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50315901
PNG
(2-chloro-N-(3-(5-(pyridin-4-yl)imidazo[2,1-b]thiaz...)
Show SMILES Clc1ccccc1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccncc1
Show InChI InChI=1S/C23H15ClN4OS/c24-19-7-2-1-6-18(19)22(29)26-17-5-3-4-16(14-17)20-21(15-8-10-25-11-9-15)28-12-13-30-23(28)27-20/h1-14H,(H,26,29)
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n/an/a 240n/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)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 280n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 310n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of NeK2


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

More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 310n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Src


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

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)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens)
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 320n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Blk


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

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315895
PNG
(CHEMBL1090357 | N-(3-(5-(2-(4-(2-(dimethylamino)et...)
Show SMILES CN(C)CCc1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1
Show InChI InChI=1S/C32H27F2N7OS/c1-40(2)16-14-20-9-11-22(12-10-20)37-31-35-15-13-26(38-31)29-28(39-32-41(29)17-18-43-32)21-5-3-6-23(19-21)36-30(42)27-24(33)7-4-8-25(27)34/h3-13,15,17-19H,14,16H2,1-2H3,(H,36,42)(H,35,37,38)
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n/an/a 330n/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)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(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)

More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens)
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(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 EphA2


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

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)

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)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 531n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PAK1


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

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)

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)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 610n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 650n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MST2


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

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 660n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora 2


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

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 680n/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)

More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a 740n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CK1delta


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

More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCgamma


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

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


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

More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens)
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(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 ZipK


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

More data for this
Ligand-Target Pair
Neurotrophic tyrosine kinase receptor


(Homo Sapiens)
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TrkA


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

More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D2 (PKD2)


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKD2


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

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PAK4


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

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK3


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

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JAK2


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

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDC42BPA


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

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SGK


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

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1


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

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DyrK1A


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

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK3


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

More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDC2


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

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CSF1R


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

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK5


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

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ERK2


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

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tyk2


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

More data for this
Ligand-Target Pair
Neurotrophic tyrosine kinase receptor type 2


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TrkB


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

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens)
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ITK


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

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JAK3


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

More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38-gamma


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

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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

More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCeta


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

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38delta


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

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(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 PIM2


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

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(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 AKT2


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

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(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 Fyn


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

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(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 PLK1


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

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(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 GSK3-beta


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

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(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 CHK2


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

More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(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 cKit


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

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(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 AKT3


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

More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(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 PKCdelta


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

More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(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 ROCK2


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

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 5.20E+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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50315904
PNG
(4-(6-(3-nitrophenyl)imidazo[2,1-b]thiazol-5-yl)-N-...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C21H14N6O2S/c28-27(29)16-8-4-5-14(13-16)18-19(26-11-12-30-21(26)25-18)17-9-10-22-20(24-17)23-15-6-2-1-3-7-15/h1-13H,(H,22,23,24)
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n/an/a 6.00E+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)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB | Lapatinib | N-{...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a>1.00E+4n/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50315887
PNG
((1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidaz...)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12
Show InChI InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by time resolved fluorescence assay


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

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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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)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50315887
PNG
((1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidaz...)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12
Show InChI InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+
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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)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315902
PNG
(2-chloro-N-(3-(5-(2-(phenylamino)pyrimidin-4-yl)im...)
Show SMILES Clc1ccccc1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C28H19ClN6OS/c29-22-12-5-4-11-21(22)26(36)31-20-10-6-7-18(17-20)24-25(35-15-16-37-28(35)34-24)23-13-14-30-27(33-23)32-19-8-2-1-3-9-19/h1-17H,(H,31,36)(H,30,32,33)
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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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50315900
PNG
(CHEMBL1093486 | N-(3-(5-(2-amino-1H-benzo[d]imidaz...)
Show SMILES Nc1nc2ccc(cc2[nH]1)-c1c(nc2sccn12)-c1cccc(NC(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C25H17ClN6OS/c26-18-7-2-1-6-17(18)23(33)28-16-5-3-4-14(12-16)21-22(32-10-11-34-25(32)31-21)15-8-9-19-20(13-15)30-24(27)29-19/h1-13H,(H,28,33)(H3,27,29,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by time resolved fluorescence assay


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

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315901
PNG
(2-chloro-N-(3-(5-(pyridin-4-yl)imidazo[2,1-b]thiaz...)
Show SMILES Clc1ccccc1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccncc1
Show InChI InChI=1S/C23H15ClN4OS/c24-19-7-2-1-6-18(19)22(29)26-17-5-3-4-16(14-17)20-21(15-8-10-25-11-9-15)28-12-13-30-23(28)27-20/h1-14H,(H,26,29)
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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)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315900
PNG
(CHEMBL1093486 | N-(3-(5-(2-amino-1H-benzo[d]imidaz...)
Show SMILES Nc1nc2ccc(cc2[nH]1)-c1c(nc2sccn12)-c1cccc(NC(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C25H17ClN6OS/c26-18-7-2-1-6-17(18)23(33)28-16-5-3-4-14(12-16)21-22(32-10-11-34-25(32)31-21)15-8-9-19-20(13-15)30-24(27)29-19/h1-13H,(H,28,33)(H3,27,29,30)
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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)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315904
PNG
(4-(6-(3-nitrophenyl)imidazo[2,1-b]thiazol-5-yl)-N-...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C21H14N6O2S/c28-27(29)16-8-4-5-14(13-16)18-19(26-11-12-30-21(26)25-18)17-9-10-22-20(24-17)23-15-6-2-1-3-7-15/h1-13H,(H,22,23,24)
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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)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315903
PNG
(CHEMBL1093234 | N-(3-(5-(2-(phenylamino)pyrimidin-...)
Show SMILES O=C(Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C28H20N6OS/c35-26(19-8-3-1-4-9-19)30-22-13-7-10-20(18-22)24-25(34-16-17-36-28(34)33-24)23-14-15-29-27(32-23)31-21-11-5-2-6-12-21/h1-18H,(H,30,35)(H,29,31,32)
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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)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%