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BDBM50205140 CHEMBL3946811

SMILES: COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1

InChI Key: InChIKey=WDAHGVLBPINGHW-UHFFFAOYSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50205140   
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
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50205140
PNG
(CHEMBL3946811)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35F2N7O5/c1-40-14-16-42(17-15-40)13-6-18-47-31-21-26-23(20-30(31)46-3)28(11-12-37-26)48-29-10-9-22(19-25(29)36)38-33(44)32-39-43(34(45)41(32)2)27-8-5-4-7-24(27)35/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,38,44)
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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
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
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
Show InChI InChI=1S/C34H35F2N7O5/c1-40-14-16-42(17-15-40)13-6-18-47-31-21-26-23(20-30(31)46-3)28(11-12-37-26)48-29-10-9-22(19-25(29)36)38-33(44)32-39-43(34(45)41(32)2)27-8-5-4-7-24(27)35/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,38,44)
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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
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50205140
PNG
(CHEMBL3946811)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35F2N7O5/c1-40-14-16-42(17-15-40)13-6-18-47-31-21-26-23(20-30(31)46-3)28(11-12-37-26)48-29-10-9-22(19-25(29)36)38-33(44)32-39-43(34(45)41(32)2)27-8-5-4-7-24(27)35/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,38,44)
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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
BindingDB Entry DOI: 10.7270/Q2KK9DR0
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
Show InChI InChI=1S/C34H35F2N7O5/c1-40-14-16-42(17-15-40)13-6-18-47-31-21-26-23(20-30(31)46-3)28(11-12-37-26)48-29-10-9-22(19-25(29)36)38-33(44)32-39-43(34(45)41(32)2)27-8-5-4-7-24(27)35/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,38,44)
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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
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50205140
PNG
(CHEMBL3946811)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35F2N7O5/c1-40-14-16-42(17-15-40)13-6-18-47-31-21-26-23(20-30(31)46-3)28(11-12-37-26)48-29-10-9-22(19-25(29)36)38-33(44)32-39-43(34(45)41(32)2)27-8-5-4-7-24(27)35/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,38,44)
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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
BindingDB Entry DOI: 10.7270/Q2KK9DR0
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
Show InChI InChI=1S/C34H35F2N7O5/c1-40-14-16-42(17-15-40)13-6-18-47-31-21-26-23(20-30(31)46-3)28(11-12-37-26)48-29-10-9-22(19-25(29)36)38-33(44)32-39-43(34(45)41(32)2)27-8-5-4-7-24(27)35/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,38,44)
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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
BindingDB Entry DOI: 10.7270/Q2KK9DR0
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
Show InChI InChI=1S/C34H35F2N7O5/c1-40-14-16-42(17-15-40)13-6-18-47-31-21-26-23(20-30(31)46-3)28(11-12-37-26)48-29-10-9-22(19-25(29)36)38-33(44)32-39-43(34(45)41(32)2)27-8-5-4-7-24(27)35/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,38,44)
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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
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair