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PubMed code 25282672

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 1.20n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 substrate by HTRF assay

Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50102822
PNG
(CHEMBL3339360)
Show SMILES COc1cc2c(Oc3ccc(CC(=O)N\N=C\c4ccc(cc4)C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H32F4N4O4/c1-43-30-19-25-27(20-31(30)44-16-4-15-41-13-2-3-14-41)38-12-11-28(25)45-29-10-7-23(17-26(29)34)18-32(42)40-39-21-22-5-8-24(9-6-22)33(35,36)37/h5-12,17,19-21H,2-4,13-16,18H2,1H3,(H,40,42)/b39-21+
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n/an/a 1.90n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 substrate by HTRF assay

Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50102819
PNG
(CHEMBL3339368)
Show SMILES COc1cc2c(Oc3ccc(CC(=O)N\N=C(\C)c4ccc(cc4)C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C34H34F4N4O4/c1-22(24-7-9-25(10-8-24)34(36,37)38)40-41-33(43)19-23-6-11-30(27(35)18-23)46-29-12-13-39-28-21-32(31(44-2)20-26(28)29)45-17-5-16-42-14-3-4-15-42/h6-13,18,20-21H,3-5,14-17,19H2,1-2H3,(H,41,43)/b40-22-
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n/an/a 3.10n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 substrate by HTRF assay

Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))		BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 3.40n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of RON (unknown origin)

Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50102824
PNG
(CHEMBL3339359)
Show SMILES COc1cc2c(Oc3ccc(CC(=O)N\N=C\c4ccc(OC(F)(F)F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H32F4N4O5/c1-43-30-19-25-27(20-31(30)44-16-4-15-41-13-2-3-14-41)38-12-11-28(25)45-29-10-7-23(17-26(29)34)18-32(42)40-39-21-22-5-8-24(9-6-22)46-33(35,36)37/h5-12,17,19-21H,2-4,13-16,18H2,1H3,(H,40,42)/b39-21+
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n/an/a 4n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 substrate by HTRF assay

Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 4.90n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)

Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50102823
PNG
(CHEMBL3339356)
Show SMILES COc1cc2c(Oc3ccc(CC(=O)N\N=C\c4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C32H32F2N4O4/c1-40-30-19-25-27(20-31(30)41-16-4-15-38-13-2-3-14-38)35-12-11-28(25)42-29-10-7-23(17-26(29)34)18-32(39)37-36-21-22-5-8-24(33)9-6-22/h5-12,17,19-21H,2-4,13-16,18H2,1H3,(H,37,39)/b36-21+
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n/an/a 5n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 substrate by HTRF assay

Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 5.60n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)

Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50102820
PNG
(CHEMBL3339354)
Show SMILES COc1cc2c(Oc3ccc(CC(=O)N\N=C\c4ccc(cc4)C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C33H32F4N4O5/c1-43-30-19-25-27(20-31(30)45-14-2-11-41-12-15-44-16-13-41)38-10-9-28(25)46-29-8-5-23(17-26(29)34)18-32(42)40-39-21-22-3-6-24(7-4-22)33(35,36)37/h3-10,17,19-21H,2,11-16,18H2,1H3,(H,40,42)/b39-21+
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n/an/a 5.90n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 substrate by HTRF assay

Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 6.70n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin)

Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50102821
PNG
(CHEMBL3339353)
Show SMILES COc1cc2c(Oc3ccc(CC(=O)N\N=C\c4ccc(OC(F)(F)F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C33H32F4N4O6/c1-43-30-19-25-27(20-31(30)45-14-2-11-41-12-15-44-16-13-41)38-10-9-28(25)46-29-8-5-23(17-26(29)34)18-32(42)40-39-21-22-3-6-24(7-4-22)47-33(35,36)37/h3-10,17,19-21H,2,11-16,18H2,1H3,(H,40,42)/b39-21+
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n/an/a 8.30n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 substrate by HTRF assay

Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))		BDBM50102822
PNG
(CHEMBL3339360)
Show SMILES COc1cc2c(Oc3ccc(CC(=O)N\N=C\c4ccc(cc4)C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H32F4N4O4/c1-43-30-19-25-27(20-31(30)44-16-4-15-41-13-2-3-14-41)38-12-11-28(25)45-29-10-7-23(17-26(29)34)18-32(42)40-39-21-22-5-8-24(9-6-22)33(35,36)37/h5-12,17,19-21H,2-4,13-16,18H2,1H3,(H,40,42)/b39-21+
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n/an/a 29n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of RON (unknown origin)

Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50102822
PNG
(CHEMBL3339360)
Show SMILES COc1cc2c(Oc3ccc(CC(=O)N\N=C\c4ccc(cc4)C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H32F4N4O4/c1-43-30-19-25-27(20-31(30)44-16-4-15-41-13-2-3-14-41)38-12-11-28(25)45-29-10-7-23(17-26(29)34)18-32(42)40-39-21-22-5-8-24(9-6-22)33(35,36)37/h5-12,17,19-21H,2-4,13-16,18H2,1H3,(H,40,42)/b39-21+
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n/an/a 45n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin)

Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50351728
PNG
(CHEMBL1822590)
Show SMILES Oc1ccc(CC(=O)NN=C2C(=O)Nc3ccccc23)cc1F |w:9.8|
Show InChI InChI=1S/C16H12FN3O3/c17-11-7-9(5-6-13(11)21)8-14(22)19-20-15-10-3-1-2-4-12(10)18-16(15)23/h1-7,21H,8H2,(H,19,22)(H,18,20,23)
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n/an/a 54n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin)

Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50102822
PNG
(CHEMBL3339360)
Show SMILES COc1cc2c(Oc3ccc(CC(=O)N\N=C\c4ccc(cc4)C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H32F4N4O4/c1-43-30-19-25-27(20-31(30)44-16-4-15-41-13-2-3-14-41)38-12-11-28(25)45-29-10-7-23(17-26(29)34)18-32(42)40-39-21-22-5-8-24(9-6-22)33(35,36)37/h5-12,17,19-21H,2-4,13-16,18H2,1H3,(H,40,42)/b39-21+
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n/an/a 390n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)

Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50102822
PNG
(CHEMBL3339360)
Show SMILES COc1cc2c(Oc3ccc(CC(=O)N\N=C\c4ccc(cc4)C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H32F4N4O4/c1-43-30-19-25-27(20-31(30)44-16-4-15-41-13-2-3-14-41)38-12-11-28(25)45-29-10-7-23(17-26(29)34)18-32(42)40-39-21-22-5-8-24(9-6-22)33(35,36)37/h5-12,17,19-21H,2-4,13-16,18H2,1H3,(H,40,42)/b39-21+
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n/an/a 560n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)

Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 2.99E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50102822
PNG
(CHEMBL3339360)
Show SMILES COc1cc2c(Oc3ccc(CC(=O)N\N=C\c4ccc(cc4)C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H32F4N4O4/c1-43-30-19-25-27(20-31(30)44-16-4-15-41-13-2-3-14-41)38-12-11-28(25)45-29-10-7-23(17-26(29)34)18-32(42)40-39-21-22-5-8-24(9-6-22)33(35,36)37/h5-12,17,19-21H,2-4,13-16,18H2,1H3,(H,40,42)/b39-21+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%