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PubMed code 27490023

Compile data set for download or QSAR
Found 25 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)
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 0.400n/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 as substrate preincubated for 60 mins followed by substrate addition measured after 2 to...


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB)
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 0.860n/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 VEGFR2 (unknown origin) using poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 t...


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB)
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 1.5n/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 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205140
PNG
(CHEMBL3946811)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
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n/an/a 1.60n/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 c-MET (unknown origin) using poly(Glu, Tyr)4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205145
PNG
(CHEMBL3947425)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5OC(F)(F)F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
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n/an/a 2.10n/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 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205141
PNG
(CHEMBL3918992)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
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n/an/a 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 c-MET (unknown origin) using poly(Glu, Tyr)4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB)
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 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 Ron (unknown origin) using poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 to 4...


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50205140
PNG
(CHEMBL3946811)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
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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 c-Kit (unknown origin) after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB)
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 3.60n/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) using poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 to ...


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB)
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 3.60n/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 PDGFRalpha (unknown origin) using poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measured after...


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205139
PNG
(CHEMBL3911896)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5OC(F)(F)F)c(=O)n4C4CC4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
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n/an/a 3.90n/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 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205147
PNG
(CHEMBL3911762)
Show SMILES CCn1c(nn(-c2ccccc2OC(F)(F)F)c1=O)C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCC(C)CC4)c(OC)cc23)c(F)c1
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n/an/a 4.30n/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 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205148
PNG
(CHEMBL3938747)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5Cl)c(=O)n4C4CC4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
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n/an/a 4.60n/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 c-MET (unknown origin) using poly(Glu, Tyr)4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB)
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) using biotinylated-poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measur...


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50205140
PNG
(CHEMBL3946811)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
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n/an/a 8.20n/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 FLT3 (unknown origin) after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205142
PNG
(CHEMBL3954957)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(OC(F)F)cc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
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n/an/a 8.70n/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-MET (unknown origin) using poly(Glu, Tyr)4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB)
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 9.60n/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 PDGFRbeta (unknown origin) using poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measured after ...


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205144
PNG
(CHEMBL3945791)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5cccc(F)c5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
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n/an/a 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 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205143
PNG
(CHEMBL3937387)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(F)cc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
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n/an/a 11n/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 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205146
PNG
(CHEMBL3956129)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(Cl)cc5Cl)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
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n/an/a 13n/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 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50204947
PNG
(CHEMBL3946271)
Show SMILES COc1ccc(cc1)-n1nc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCCCC5)c(OC)cc34)c(F)c2)n(C)c1=O
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n/an/a 32n/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 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50205140
PNG
(CHEMBL3946811)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 95n/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 PDGFRalpha (unknown origin) after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50205140
PNG
(CHEMBL3946811)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 141n/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) after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50205140
PNG
(CHEMBL3946811)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 480n/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 VEGFR2 (unknown origin) after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50205140
PNG
(CHEMBL3946811)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+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 EGFR (unknown origin) after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%