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Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'sangani' and Initial = 'cb'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064769
PNG
(CHEMBL3401255)
Show SMILES Cc1ccc2OCCn3c(nc4cc(ccc34)[N+]([O-])=O)-c2c1
Show InChI InChI=1S/C16H13N3O3/c1-10-2-5-15-12(8-10)16-17-13-9-11(19(20)21)3-4-14(13)18(16)6-7-22-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 16n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Epidermal growth factor 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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n/an/a 30n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti...


Bioorg Med Chem Lett 24: 4472-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064788
PNG
(CHEMBL3401249)
Show SMILES Clc1ccc2n3CCOc4ccc(Br)cc4-c3nc2c1
Show InChI InChI=1S/C15H10BrClN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 31n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Epidermal growth factor 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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n/an/a 32n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t...


Eur J Med Chem 76: 549-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor 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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n/an/a 32n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by time-res...


Bioorg Med Chem Lett 24: 1734-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50103527
PNG
(CHEMBL3325477)
Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cc3ccccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9|
Show InChI InChI=1S/C26H23N7O3/c1-2-36-26(35)23-21(17-13-15-7-3-4-9-18(15)33-25(17)29-30-31-33)22-19(10-5-11-20(22)34)32(24(23)27)16-8-6-12-28-14-16/h3-4,6-9,12-14,21H,2,5,10-11,27H2,1H3
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n/an/a 90n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti...


Bioorg Med Chem Lett 24: 4472-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064771
PNG
(CHEMBL3401253)
Show SMILES Brc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1
Show InChI InChI=1S/C15H10Br2N2O/c16-9-2-4-14-11(7-9)15-18-12-8-10(17)1-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 92n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064860
PNG
(CHEMBL3403813)
Show SMILES Cc1ccc2OCCn3c(nc4cc(C)ccc34)-c2c1
Show InChI InChI=1S/C17H16N2O/c1-11-4-6-16-13(9-11)17-18-14-10-12(2)3-5-15(14)19(17)7-8-20-16/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 118n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50009639
PNG
(CHEMBL3235202)
Show SMILES COc1ccc(Oc2nc3ccc(C)cc3cc2\C=N\NC(=O)Cn2c(C)ncc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C24H22N6O5/c1-15-4-9-21-17(10-15)11-18(24(27-21)35-20-7-5-19(34-3)6-8-20)12-26-28-22(31)14-29-16(2)25-13-23(29)30(32)33/h4-13H,14H2,1-3H3,(H,28,31)/b26-12+
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n/an/a 120n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by time-res...


Bioorg Med Chem Lett 24: 1734-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064855
PNG
(CHEMBL3401248)
Show SMILES Clc1ccc2OCCn3c(nc4cc(Cl)ccc34)-c2c1
Show InChI InChI=1S/C15H10Cl2N2O/c16-9-2-4-14-11(7-9)15-18-12-8-10(17)1-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 127n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Epidermal growth factor 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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n/an/a 160n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of human HER2 cytoplasmic domain (amino acids 676 to 1245) (unknown origin) expressed in Sf9 cells after 1 hr by ti...


Bioorg Med Chem Lett 24: 1734-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50009638
PNG
(CHEMBL3235201)
Show SMILES Cc1ncc(n1CC(=O)N\N=C\c1cc2cc(C)ccc2nc1Oc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H22N6O4/c1-15-4-7-20(8-5-15)34-24-19(11-18-10-16(2)6-9-21(18)27-24)12-26-28-22(31)14-29-17(3)25-13-23(29)30(32)33/h4-13H,14H2,1-3H3,(H,28,31)/b26-12+
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n/an/a 180n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by time-res...


Bioorg Med Chem Lett 24: 1734-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064856
PNG
(CHEMBL3401245)
Show SMILES Fc1ccc2n3CCOc4ccc(Br)cc4-c3nc2c1
Show InChI InChI=1S/C15H10BrFN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 181n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064769
PNG
(CHEMBL3401255)
Show SMILES Cc1ccc2OCCn3c(nc4cc(ccc34)[N+]([O-])=O)-c2c1
Show InChI InChI=1S/C16H13N3O3/c1-10-2-5-15-12(8-10)16-17-13-9-11(19(20)21)3-4-14(13)18(16)6-7-22-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 184n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064788
PNG
(CHEMBL3401249)
Show SMILES Clc1ccc2n3CCOc4ccc(Br)cc4-c3nc2c1
Show InChI InChI=1S/C15H10BrClN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 188n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50102489
PNG
(CHEMBL3325479)
Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cc3cc(OC)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9|
Show InChI InChI=1S/C27H25N7O4/c1-3-38-27(36)24-22(18-13-15-12-17(37-2)9-10-19(15)34-26(18)30-31-32-34)23-20(7-4-8-21(23)35)33(25(24)28)16-6-5-11-29-14-16/h5-6,9-14,22H,3-4,7-8,28H2,1-2H3
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti...


Bioorg Med Chem Lett 24: 4472-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T
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 200n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA...


Bioorg Med Chem Lett 24: 4472-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50103527
PNG
(CHEMBL3325477)
Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cc3ccccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9|
Show InChI InChI=1S/C26H23N7O3/c1-2-36-26(35)23-21(17-13-15-7-3-4-9-18(15)33-25(17)29-30-31-33)22-19(10-5-11-20(22)34)32(24(23)27)16-8-6-12-28-14-16/h3-4,6-9,12-14,21H,2,5,10-11,27H2,1H3
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA...


Bioorg Med Chem Lett 24: 4472-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50009642
PNG
(CHEMBL3234866)
Show SMILES COc1ccc(Oc2nc3ccccc3cc2\C=N\NC(=O)Cn2c(C)ncc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C23H20N6O5/c1-15-24-13-22(29(31)32)28(15)14-21(30)27-25-12-17-11-16-5-3-4-6-20(16)26-23(17)34-19-9-7-18(33-2)8-10-19/h3-13H,14H2,1-2H3,(H,27,30)/b25-12+
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n/an/a 270n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by time-res...


Bioorg Med Chem Lett 24: 1734-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064857
PNG
(CHEMBL3401244)
Show SMILES Fc1ccc2n3CCOc4ccc(Cl)cc4-c3nc2c1
Show InChI InChI=1S/C15H10ClFN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 283n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064771
PNG
(CHEMBL3401253)
Show SMILES Brc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1
Show InChI InChI=1S/C15H10Br2N2O/c16-9-2-4-14-11(7-9)15-18-12-8-10(17)1-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 284n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064855
PNG
(CHEMBL3401248)
Show SMILES Clc1ccc2OCCn3c(nc4cc(Cl)ccc34)-c2c1
Show InChI InChI=1S/C15H10Cl2N2O/c16-9-2-4-14-11(7-9)15-18-12-8-10(17)1-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 363n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50009643
PNG
(CHEMBL3234867)
Show SMILES Cc1ncc(n1CC(=O)N\N=C\c1cc2ccccc2nc1Oc1ccc(F)cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H17FN6O4/c1-14-24-12-21(29(31)32)28(14)13-20(30)27-25-11-16-10-15-4-2-3-5-19(15)26-22(16)33-18-8-6-17(23)7-9-18/h2-12H,13H2,1H3,(H,27,30)/b25-11+
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n/an/a 370n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of human HER2 cytoplasmic domain (amino acids 676 to 1245) (unknown origin) expressed in Sf9 cells after 1 hr by ti...


Bioorg Med Chem Lett 24: 1734-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064860
PNG
(CHEMBL3403813)
Show SMILES Cc1ccc2OCCn3c(nc4cc(C)ccc34)-c2c1
Show InChI InChI=1S/C17H16N2O/c1-11-4-6-16-13(9-11)17-18-14-10-12(2)3-5-15(14)19(17)7-8-20-16/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 394n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50009640
PNG
(CHEMBL3235203)
Show SMILES Cc1ncc(n1CC(=O)N\N=C\c1cc2cc(C)ccc2nc1Oc1ccc(F)cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H19FN6O4/c1-14-3-8-20-16(9-14)10-17(23(27-20)34-19-6-4-18(24)5-7-19)11-26-28-21(31)13-29-15(2)25-12-22(29)30(32)33/h3-12H,13H2,1-2H3,(H,28,31)/b26-11+
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n/an/a 420n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by time-res...


Bioorg Med Chem Lett 24: 1734-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50009640
PNG
(CHEMBL3235203)
Show SMILES Cc1ncc(n1CC(=O)N\N=C\c1cc2cc(C)ccc2nc1Oc1ccc(F)cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H19FN6O4/c1-14-3-8-20-16(9-14)10-17(23(27-20)34-19-6-4-18(24)5-7-19)11-26-28-21(31)13-29-15(2)25-12-22(29)30(32)33/h3-12H,13H2,1-2H3,(H,28,31)/b26-11+
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n/an/a 430n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of human HER2 cytoplasmic domain (amino acids 676 to 1245) (unknown origin) expressed in Sf9 cells after 1 hr by ti...


Bioorg Med Chem Lett 24: 1734-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064856
PNG
(CHEMBL3401245)
Show SMILES Fc1ccc2n3CCOc4ccc(Br)cc4-c3nc2c1
Show InChI InChI=1S/C15H10BrFN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 473n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064859
PNG
(CHEMBL3401243)
Show SMILES Cc1ccc2OCCn3c(nc4cc(F)ccc34)-c2c1
Show InChI InChI=1S/C16H13FN2O/c1-10-2-5-15-12(8-10)16-18-13-9-11(17)3-4-14(13)19(16)6-7-20-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 474n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 481n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064857
PNG
(CHEMBL3401244)
Show SMILES Fc1ccc2n3CCOc4ccc(Cl)cc4-c3nc2c1
Show InChI InChI=1S/C15H10ClFN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 488n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50009023
PNG
(CHEMBL3237948)
Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccc(C)cc1)C(=O)CC(C)(C)C2)c1cccnc1 |c:5,9|
Show InChI InChI=1S/C30H32ClN5O3/c1-6-39-29(38)26-25(23-18(3)34-36(27(23)31)19-11-9-17(2)10-12-19)24-21(14-30(4,5)15-22(24)37)35(28(26)32)20-8-7-13-33-16-20/h7-13,16,25H,6,14-15,32H2,1-5H3
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n/an/a 510n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t...


Eur J Med Chem 76: 549-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064779
PNG
(CHEMBL3401251)
Show SMILES Cc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1
Show InChI InChI=1S/C16H13BrN2O/c1-10-2-5-15-12(8-10)16-18-13-9-11(17)3-4-14(13)19(16)6-7-20-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 662n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064861
PNG
(CHEMBL3401259)
Show SMILES Cc1ccc2OCCn3c(nc4cc(ccc34)C(F)(F)F)-c2c1
Show InChI InChI=1S/C17H13F3N2O/c1-10-2-5-15-12(8-10)16-21-13-9-11(17(18,19)20)3-4-14(13)22(16)6-7-23-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 685n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50102489
PNG
(CHEMBL3325479)
Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cc3cc(OC)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9|
Show InChI InChI=1S/C27H25N7O4/c1-3-38-27(36)24-22(18-13-15-12-17(37-2)9-10-19(15)34-26(18)30-31-32-34)23-20(7-4-8-21(23)35)33(25(24)28)16-6-5-11-29-14-16/h5-6,9-14,22H,3-4,7-8,28H2,1-2H3
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n/an/a 800n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA...


Bioorg Med Chem Lett 24: 4472-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064859
PNG
(CHEMBL3401243)
Show SMILES Cc1ccc2OCCn3c(nc4cc(F)ccc34)-c2c1
Show InChI InChI=1S/C16H13FN2O/c1-10-2-5-15-12(8-10)16-18-13-9-11(17)3-4-14(13)19(16)6-7-20-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 907n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50009020
PNG
(CHEMBL3237945)
Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccc(C)cc1)C(=O)CCC2)c1cccnc1 |c:5,9|
Show InChI InChI=1S/C28H28ClN5O3/c1-4-37-28(36)25-24(22-17(3)32-34(26(22)29)18-12-10-16(2)11-13-18)23-20(8-5-9-21(23)35)33(27(25)30)19-7-6-14-31-15-19/h6-7,10-15,24H,4-5,8-9,30H2,1-3H3
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n/an/a 910n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t...


Eur J Med Chem 76: 549-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 947n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 983n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50009024
PNG
(CHEMBL3237949)
Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccc(Cl)cc1)C(=O)CC(C)(C)C2)c1cccnc1 |c:5,9|
Show InChI InChI=1S/C29H29Cl2N5O3/c1-5-39-28(38)25-24(22-16(2)34-36(26(22)31)18-10-8-17(30)9-11-18)23-20(13-29(3,4)14-21(23)37)35(27(25)32)19-7-6-12-33-15-19/h6-12,15,24H,5,13-14,32H2,1-4H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t...


Eur J Med Chem 76: 549-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064779
PNG
(CHEMBL3401251)
Show SMILES Cc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1
Show InChI InChI=1S/C16H13BrN2O/c1-10-2-5-15-12(8-10)16-18-13-9-11(17)3-4-14(13)19(16)6-7-20-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50103531
PNG
(CHEMBL3325473)
Show SMILES COC(=O)C1=C(N)N(C2=C(C1c1cc3ccccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8|
Show InChI InChI=1S/C25H21N7O3/c1-35-25(34)22-20(16-12-14-6-2-3-8-17(14)32-24(16)28-29-30-32)21-18(9-4-10-19(21)33)31(23(22)26)15-7-5-11-27-13-15/h2-3,5-8,11-13,20H,4,9-10,26H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti...


Bioorg Med Chem Lett 24: 4472-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064861
PNG
(CHEMBL3401259)
Show SMILES Cc1ccc2OCCn3c(nc4cc(ccc34)C(F)(F)F)-c2c1
Show InChI InChI=1S/C17H13F3N2O/c1-10-2-5-15-12(8-10)16-21-13-9-11(17(18,19)20)3-4-14(13)22(16)6-7-23-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 1.21E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50103528
PNG
(CHEMBL3325475)
Show SMILES COC(=O)C1=C(N)N(C2=C(C1c1cc3cc(OC)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8|
Show InChI InChI=1S/C26H23N7O4/c1-36-16-8-9-18-14(11-16)12-17(25-29-30-31-33(18)25)21-22-19(6-3-7-20(22)34)32(15-5-4-10-28-13-15)24(27)23(21)26(35)37-2/h4-5,8-13,21H,3,6-7,27H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti...


Bioorg Med Chem Lett 24: 4472-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 1.36E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kdelta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50009637
PNG
(CHEMBL3235200)
Show SMILES Cc1ncc(n1CC(=O)N\N=C\c1cc2cc(C)ccc2nc1Oc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C23H20N6O4/c1-15-8-9-20-17(10-15)11-18(23(26-20)33-19-6-4-3-5-7-19)12-25-27-21(30)14-28-16(2)24-13-22(28)29(31)32/h3-13H,14H2,1-2H3,(H,27,30)/b25-12+
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n/an/a 1.58E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of human HER2 cytoplasmic domain (amino acids 676 to 1245) (unknown origin) expressed in Sf9 cells after 1 hr by ti...


Bioorg Med Chem Lett 24: 1734-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50103531
PNG
(CHEMBL3325473)
Show SMILES COC(=O)C1=C(N)N(C2=C(C1c1cc3ccccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8|
Show InChI InChI=1S/C25H21N7O3/c1-35-25(34)22-20(16-12-14-6-2-3-8-17(14)32-24(16)28-29-30-32)21-18(9-4-10-19(21)33)31(23(22)26)15-7-5-11-27-13-15/h2-3,5-8,11-13,20H,4,9-10,26H2,1H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA...


Bioorg Med Chem Lett 24: 4472-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50009018
PNG
(CHEMBL3237944)
Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccccc1)C(=O)CCC2)c1cccnc1 |c:5,9|
Show InChI InChI=1S/C27H26ClN5O3/c1-3-36-27(35)24-23(21-16(2)31-33(25(21)28)17-9-5-4-6-10-17)22-19(12-7-13-20(22)34)32(26(24)29)18-11-8-14-30-15-18/h4-6,8-11,14-15,23H,3,7,12-13,29H2,1-2H3
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n/an/a 2.09E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t...


Eur J Med Chem 76: 549-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50103528
PNG
(CHEMBL3325475)
Show SMILES COC(=O)C1=C(N)N(C2=C(C1c1cc3cc(OC)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8|
Show InChI InChI=1S/C26H23N7O4/c1-36-16-8-9-18-14(11-16)12-17(25-29-30-31-33(18)25)21-22-19(6-3-7-20(22)34)32(15-5-4-10-28-13-15)24(27)23(21)26(35)37-2/h4-5,8-13,21H,3,6-7,27H2,1-2H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA...


Bioorg Med Chem Lett 24: 4472-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50009639
PNG
(CHEMBL3235202)
Show SMILES COc1ccc(Oc2nc3ccc(C)cc3cc2\C=N\NC(=O)Cn2c(C)ncc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C24H22N6O5/c1-15-4-9-21-17(10-15)11-18(24(27-21)35-20-7-5-19(34-3)6-8-20)12-26-28-22(31)14-29-16(2)25-13-23(29)30(32)33/h4-13H,14H2,1-3H3,(H,28,31)/b26-12+
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n/an/a 2.18E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of human HER2 cytoplasmic domain (amino acids 676 to 1245) (unknown origin) expressed in Sf9 cells after 1 hr by ti...


Bioorg Med Chem Lett 24: 1734-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50009637
PNG
(CHEMBL3235200)
Show SMILES Cc1ncc(n1CC(=O)N\N=C\c1cc2cc(C)ccc2nc1Oc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C23H20N6O4/c1-15-8-9-20-17(10-15)11-18(23(26-20)33-19-6-4-3-5-7-19)12-25-27-21(30)14-28-16(2)24-13-22(28)29(31)32/h3-13H,14H2,1-2H3,(H,27,30)/b25-12+
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n/an/a 3.17E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by time-res...


Bioorg Med Chem Lett 24: 1734-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS
More data for this
Ligand-Target Pair
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