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18 similar compounds to monomer 50432682

Compile data set for download or QSAR
Wt: 407.4
BDBM14810
Wt: 510.5
BDBM50322817
Wt: 407.4
BDBM50322820
Wt: 476.5
BDBM50322821
Wt: 476.5
BDBM50322822
Wt: 563.6
BDBM50432683
Wt: 549.6
BDBM50432684
Wt: 535.6
BDBM50432685
Wt: 521.6
BDBM50432686
Wt: 507.5
BDBM50432687
Wt: 464.5
BDBM50432688
Wt: 464.5
BDBM50432689
Wt: 422.4
BDBM50432690
Wt: 452.4
BDBM50432691
Wt: 397.4
BDBM50432693
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 14810,50322817,50322820,50322821,50322822,50432683,50432684,50432685,50432686,50432687,50432688,50432689,50432690,50432691,50432693   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM14810
PNG
(2-(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-2-...)
Show SMILES OCC(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H21N3O2/c30-16-21(18-10-4-1-5-11-18)29-25-23-22(19-12-6-2-7-13-19)24(20-14-8-3-9-15-20)31-26(23)28-17-27-25/h1-15,17,21,30H,16H2,(H,27,28,29)
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n/an/a>1.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50322820
PNG
(CHEMBL1172781 | S-2-(5,6-Diphenylfuro[2,3-d]pyrimi...)
Show SMILES OC[C@@H](Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H21N3O2/c30-16-21(18-10-4-1-5-11-18)29-25-23-22(19-12-6-2-7-13-19)24(20-14-8-3-9-15-20)31-26(23)28-17-27-25/h1-15,17,21,30H,16H2,(H,27,28,29)/t21-/m1/s1
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n/an/a 393n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human wild type GST-tagged EGFR kinase domain expressed in Sf9 cells by luminescence assay


J Med Chem 56: 3889-903 (2013)


Article DOI: 10.1021/jm400072p
BindingDB Entry DOI: 10.7270/Q27W6DJ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50322820
PNG
(CHEMBL1172781 | S-2-(5,6-Diphenylfuro[2,3-d]pyrimi...)
Show SMILES OC[C@@H](Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H21N3O2/c30-16-21(18-10-4-1-5-11-18)29-25-23-22(19-12-6-2-7-13-19)24(20-14-8-3-9-15-20)31-26(23)28-17-27-25/h1-15,17,21,30H,16H2,(H,27,28,29)/t21-/m1/s1
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n/an/a 223n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged EGFR expressed in Escherichia coli


J Med Chem 53: 4980-8 (2010)

Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50322821
PNG
((S)-N-(4-(4-(2-hydroxy-1-phenylethylamino)-6-pheny...)
Show SMILES OC[C@@H](Nc1ncnc2oc(c(-c3ccc(NC(=O)C=C)cc3)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H24N4O3/c1-2-24(35)32-22-15-13-20(14-16-22)25-26-28(33-23(17-34)19-9-5-3-6-10-19)30-18-31-29(26)36-27(25)21-11-7-4-8-12-21/h2-16,18,23,34H,1,17H2,(H,32,35)(H,30,31,33)/t23-/m1/s1
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n/an/a 82n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged EGFR expressed in Escherichia coli


J Med Chem 53: 4980-8 (2010)

Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50322822
PNG
((S)-N-(3-(4-(2-hydroxy-1-phenylethylamino)-6-pheny...)
Show SMILES OC[C@@H](Nc1ncnc2oc(c(-c3cccc(NC(=O)C=C)c3)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H24N4O3/c1-2-24(35)32-22-15-9-14-21(16-22)25-26-28(33-23(17-34)19-10-5-3-6-11-19)30-18-31-29(26)36-27(25)20-12-7-4-8-13-20/h2-16,18,23,34H,1,17H2,(H,32,35)(H,30,31,33)/t23-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged EGFR expressed in Escherichia coli


J Med Chem 53: 4980-8 (2010)

Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50322820
PNG
(CHEMBL1172781 | S-2-(5,6-Diphenylfuro[2,3-d]pyrimi...)
Show SMILES OC[C@@H](Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H21N3O2/c30-16-21(18-10-4-1-5-11-18)29-25-23-22(19-12-6-2-7-13-19)24(20-14-8-3-9-15-20)31-26(23)28-17-27-25/h1-15,17,21,30H,16H2,(H,27,28,29)/t21-/m1/s1
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n/an/a 223n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 7316-26 (2010)


Article DOI: 10.1021/jm100607r
BindingDB Entry DOI: 10.7270/Q26D5T64
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50432683
PNG
(CHEMBL2347962)
Show SMILES CN(C)CCCCCC(=O)Nc1cccc(c1)-c1c(oc2ncnc(N[C@H](CO)c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C34H37N5O3/c1-39(2)20-11-5-10-19-29(41)37-27-18-12-17-26(21-27)30-31-33(38-28(22-40)24-13-6-3-7-14-24)35-23-36-34(31)42-32(30)25-15-8-4-9-16-25/h3-4,6-9,12-18,21,23,28,40H,5,10-11,19-20,22H2,1-2H3,(H,37,41)(H,35,36,38)/t28-/m1/s1
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n/an/a 4.33E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human wild type GST-tagged EGFR kinase domain expressed in Sf9 cells by luminescence assay


J Med Chem 56: 3889-903 (2013)


Article DOI: 10.1021/jm400072p
BindingDB Entry DOI: 10.7270/Q27W6DJ5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50432684
PNG
(CHEMBL2347961)
Show SMILES CN(C)CCCCC(=O)Nc1cccc(c1)-c1c(oc2ncnc(N[C@H](CO)c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C33H35N5O3/c1-38(2)19-10-9-18-28(40)36-26-17-11-16-25(20-26)29-30-32(37-27(21-39)23-12-5-3-6-13-23)34-22-35-33(30)41-31(29)24-14-7-4-8-15-24/h3-8,11-17,20,22,27,39H,9-10,18-19,21H2,1-2H3,(H,36,40)(H,34,35,37)/t27-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human wild type GST-tagged EGFR kinase domain expressed in Sf9 cells by luminescence assay


J Med Chem 56: 3889-903 (2013)


Article DOI: 10.1021/jm400072p
BindingDB Entry DOI: 10.7270/Q27W6DJ5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50432685
PNG
(CHEMBL2347960)
Show SMILES CN(C)CCCC(=O)Nc1cccc(c1)-c1c(oc2ncnc(N[C@H](CO)c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C32H33N5O3/c1-37(2)18-10-17-27(39)35-25-16-9-15-24(19-25)28-29-31(36-26(20-38)22-11-5-3-6-12-22)33-21-34-32(29)40-30(28)23-13-7-4-8-14-23/h3-9,11-16,19,21,26,38H,10,17-18,20H2,1-2H3,(H,35,39)(H,33,34,36)/t26-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human wild type GST-tagged EGFR kinase domain expressed in Sf9 cells by luminescence assay


J Med Chem 56: 3889-903 (2013)


Article DOI: 10.1021/jm400072p
BindingDB Entry DOI: 10.7270/Q27W6DJ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50432686
PNG
(CHEMBL2347963)
Show SMILES CN(C)CCC(=O)Nc1cccc(c1)-c1c(oc2ncnc(N[C@H](CO)c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C31H31N5O3/c1-36(2)17-16-26(38)34-24-15-9-14-23(18-24)27-28-30(35-25(19-37)21-10-5-3-6-11-21)32-20-33-31(28)39-29(27)22-12-7-4-8-13-22/h3-15,18,20,25,37H,16-17,19H2,1-2H3,(H,34,38)(H,32,33,35)/t25-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human wild type GST-tagged EGFR kinase domain expressed in Sf9 cells by luminescence assay


J Med Chem 56: 3889-903 (2013)


Article DOI: 10.1021/jm400072p
BindingDB Entry DOI: 10.7270/Q27W6DJ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50432687
PNG
(CHEMBL2347966)
Show SMILES CN(C)CC(=O)Nc1cccc(c1)-c1c(oc2ncnc(N[C@H](CO)c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C30H29N5O3/c1-35(2)17-25(37)33-23-15-9-14-22(16-23)26-27-29(34-24(18-36)20-10-5-3-6-11-20)31-19-32-30(27)38-28(26)21-12-7-4-8-13-21/h3-16,19,24,36H,17-18H2,1-2H3,(H,33,37)(H,31,32,34)/t24-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human wild type GST-tagged EGFR kinase domain expressed in Sf9 cells by luminescence assay


J Med Chem 56: 3889-903 (2013)


Article DOI: 10.1021/jm400072p
BindingDB Entry DOI: 10.7270/Q27W6DJ5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50432688
PNG
(CHEMBL2347965)
Show SMILES CC(=O)Nc1cccc(c1)-c1c(oc2ncnc(N[C@H](CO)c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C28H24N4O3/c1-18(34)31-22-14-8-13-21(15-22)24-25-27(32-23(16-33)19-9-4-2-5-10-19)29-17-30-28(25)35-26(24)20-11-6-3-7-12-20/h2-15,17,23,33H,16H2,1H3,(H,31,34)(H,29,30,32)/t23-/m1/s1
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n/an/a 218n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human wild type GST-tagged EGFR kinase domain expressed in Sf9 cells by luminescence assay


J Med Chem 56: 3889-903 (2013)


Article DOI: 10.1021/jm400072p
BindingDB Entry DOI: 10.7270/Q27W6DJ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50432689
PNG
(CHEMBL2347964)
Show SMILES CC(=O)Nc1ccc(cc1)-c1c(oc2ncnc(N[C@H](CO)c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C28H24N4O3/c1-18(34)31-22-14-12-20(13-15-22)24-25-27(32-23(16-33)19-8-4-2-5-9-19)29-17-30-28(25)35-26(24)21-10-6-3-7-11-21/h2-15,17,23,33H,16H2,1H3,(H,31,34)(H,29,30,32)/t23-/m1/s1
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n/an/a 179n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human wild type GST-tagged EGFR kinase domain expressed in Sf9 cells by luminescence assay


J Med Chem 56: 3889-903 (2013)


Article DOI: 10.1021/jm400072p
BindingDB Entry DOI: 10.7270/Q27W6DJ5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50432690
PNG
(CHEMBL2346678)
Show SMILES Nc1cccc(c1)-c1c(oc2ncnc(N[C@H](CO)c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C26H22N4O2/c27-20-13-7-12-19(14-20)22-23-25(30-21(15-31)17-8-3-1-4-9-17)28-16-29-26(23)32-24(22)18-10-5-2-6-11-18/h1-14,16,21,31H,15,27H2,(H,28,29,30)/t21-/m1/s1
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n/an/a 203n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human wild type GST-tagged EGFR kinase domain expressed in Sf9 cells by luminescence assay


J Med Chem 56: 3889-903 (2013)


Article DOI: 10.1021/jm400072p
BindingDB Entry DOI: 10.7270/Q27W6DJ5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50432691
PNG
(CHEMBL2347967)
Show SMILES OC[C@@H](Nc1ncnc2oc(c(-c3cccc(c3)[N+]([O-])=O)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H20N4O4/c31-15-21(17-8-3-1-4-9-17)29-25-23-22(19-12-7-13-20(14-19)30(32)33)24(18-10-5-2-6-11-18)34-26(23)28-16-27-25/h1-14,16,21,31H,15H2,(H,27,28,29)/t21-/m1/s1
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n/an/a 820n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human wild type GST-tagged EGFR kinase domain expressed in Sf9 cells by luminescence assay


J Med Chem 56: 3889-903 (2013)


Article DOI: 10.1021/jm400072p
BindingDB Entry DOI: 10.7270/Q27W6DJ5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50432693
PNG
(CHEMBL2347971)
Show SMILES OC[C@@H](Nc1ncnc2oc(c(-c3ccoc3)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H19N3O3/c28-13-19(16-7-3-1-4-8-16)27-23-21-20(18-11-12-29-14-18)22(17-9-5-2-6-10-17)30-24(21)26-15-25-23/h1-12,14-15,19,28H,13H2,(H,25,26,27)/t19-/m1/s1
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n/an/a 352n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human wild type GST-tagged EGFR kinase domain expressed in Sf9 cells by luminescence assay


J Med Chem 56: 3889-903 (2013)


Article DOI: 10.1021/jm400072p
BindingDB Entry DOI: 10.7270/Q27W6DJ5
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM50322817
PNG
(CHEMBL1173801 | N-{4-[2-(5,6-Diphenylfuro[2,3-d]py...)
Show SMILES O=C(Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1)c1ccccc1
Show InChI InChI=1S/C33H26N4O2/c38-32(26-14-8-3-9-15-26)37-27-18-16-23(17-19-27)20-21-34-31-29-28(24-10-4-1-5-11-24)30(25-12-6-2-7-13-25)39-33(29)36-22-35-31/h1-19,22H,20-21H2,(H,37,38)(H,34,35,36)
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n/an/a 304n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 4980-8 (2010)

Checked by Author
Article DOI: 10.1021/jm1000198
BindingDB Entry DOI: 10.7270/Q2Z60P87
More data for this
Ligand-Target Pair