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BDBM50152685 CHEMBL3780676

SMILES: COc1cc2c(Oc3ccc(NC(=O)c4c(Cl)c5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1

InChI Key: InChIKey=HBQMROYUNHRFSB-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50152685   
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50152685
PNG
(CHEMBL3780676)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(Cl)c5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C40H36ClF2N5O5/c1-46-17-19-47(20-18-46)16-5-21-52-36-24-31-29(23-35(36)51-2)33(14-15-44-31)53-34-13-10-26(22-30(34)43)45-39(49)37-38(41)28-6-3-4-7-32(28)48(40(37)50)27-11-8-25(42)9-12-27/h3-4,6-15,22-24H,5,16-21H2,1-2H3,(H,45,49)
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n/an/a 1.20n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1794-8 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4ST4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50152685
PNG
(CHEMBL3780676)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(Cl)c5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C40H36ClF2N5O5/c1-46-17-19-47(20-18-46)16-5-21-52-36-24-31-29(23-35(36)51-2)33(14-15-44-31)53-34-13-10-26(22-30(34)43)45-39(49)37-38(41)28-6-3-4-7-32(28)48(40(37)50)27-11-8-25(42)9-12-27/h3-4,6-15,22-24H,5,16-21H2,1-2H3,(H,45,49)
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PC sid
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PubMed
n/an/a 2.20n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1794-8 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4ST4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50152685
PNG
(CHEMBL3780676)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(Cl)c5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C40H36ClF2N5O5/c1-46-17-19-47(20-18-46)16-5-21-52-36-24-31-29(23-35(36)51-2)33(14-15-44-31)53-34-13-10-26(22-30(34)43)45-39(49)37-38(41)28-6-3-4-7-32(28)48(40(37)50)27-11-8-25(42)9-12-27/h3-4,6-15,22-24H,5,16-21H2,1-2H3,(H,45,49)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1794-8 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4ST4
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50152685
PNG
(CHEMBL3780676)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(Cl)c5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C40H36ClF2N5O5/c1-46-17-19-47(20-18-46)16-5-21-52-36-24-31-29(23-35(36)51-2)33(14-15-44-31)53-34-13-10-26(22-30(34)43)45-39(49)37-38(41)28-6-3-4-7-32(28)48(40(37)50)27-11-8-25(42)9-12-27/h3-4,6-15,22-24H,5,16-21H2,1-2H3,(H,45,49)
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NCI pathway
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PC cid
PC sid
UniChem

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PubMed
n/an/a 527n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1794-8 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4ST4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50152685
PNG
(CHEMBL3780676)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(Cl)c5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C40H36ClF2N5O5/c1-46-17-19-47(20-18-46)16-5-21-52-36-24-31-29(23-35(36)51-2)33(14-15-44-31)53-34-13-10-26(22-30(34)43)45-39(49)37-38(41)28-6-3-4-7-32(28)48(40(37)50)27-11-8-25(42)9-12-27/h3-4,6-15,22-24H,5,16-21H2,1-2H3,(H,45,49)
PDB
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NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 543n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1794-8 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4ST4
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50152685
PNG
(CHEMBL3780676)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(Cl)c5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C40H36ClF2N5O5/c1-46-17-19-47(20-18-46)16-5-21-52-36-24-31-29(23-35(36)51-2)33(14-15-44-31)53-34-13-10-26(22-30(34)43)45-39(49)37-38(41)28-6-3-4-7-32(28)48(40(37)50)27-11-8-25(42)9-12-27/h3-4,6-15,22-24H,5,16-21H2,1-2H3,(H,45,49)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 363n/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of cKIT (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1794-8 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4ST4
More data for this
Ligand-Target Pair