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BDBM50376006 CHEMBL410840

SMILES: COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC(F)(F)F)c2cc1OC

InChI Key: InChIKey=RBZINWUMPZNWCZ-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 = 50376006   
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50376006
PNG
(CHEMBL410840)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC(F)(F)F)c2cc1OC
Show InChI InChI=1S/C24H19F3N2O4/c1-31-21-11-18-19(12-22(21)32-2)28-9-8-20(18)33-15-6-7-16-14(10-15)4-3-5-17(16)23(30)29-13-24(25,26)27/h3-12H,13H2,1-2H3,(H,29,30)
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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50376006
PNG
(CHEMBL410840)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC(F)(F)F)c2cc1OC
Show InChI InChI=1S/C24H19F3N2O4/c1-31-21-11-18-19(12-22(21)32-2)28-9-8-20(18)33-15-6-7-16-14(10-15)4-3-5-17(16)23(30)29-13-24(25,26)27/h3-12H,13H2,1-2H3,(H,29,30)
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PubMed
n/an/a 3.80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50376006
PNG
(CHEMBL410840)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC(F)(F)F)c2cc1OC
Show InChI InChI=1S/C24H19F3N2O4/c1-31-21-11-18-19(12-22(21)32-2)28-9-8-20(18)33-15-6-7-16-14(10-15)4-3-5-17(16)23(30)29-13-24(25,26)27/h3-12H,13H2,1-2H3,(H,29,30)
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PubMed
n/an/a 930n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50376006
PNG
(CHEMBL410840)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC(F)(F)F)c2cc1OC
Show InChI InChI=1S/C24H19F3N2O4/c1-31-21-11-18-19(12-22(21)32-2)28-9-8-20(18)33-15-6-7-16-14(10-15)4-3-5-17(16)23(30)29-13-24(25,26)27/h3-12H,13H2,1-2H3,(H,29,30)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50376006
PNG
(CHEMBL410840)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC(F)(F)F)c2cc1OC
Show InChI InChI=1S/C24H19F3N2O4/c1-31-21-11-18-19(12-22(21)32-2)28-9-8-20(18)33-15-6-7-16-14(10-15)4-3-5-17(16)23(30)29-13-24(25,26)27/h3-12H,13H2,1-2H3,(H,29,30)
PDB

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antibodypedia
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Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50376006
PNG
(CHEMBL410840)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC(F)(F)F)c2cc1OC
Show InChI InChI=1S/C24H19F3N2O4/c1-31-21-11-18-19(12-22(21)32-2)28-9-8-20(18)33-15-6-7-16-14(10-15)4-3-5-17(16)23(30)29-13-24(25,26)27/h3-12H,13H2,1-2H3,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 51: 1668-80 (2008)


Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C
More data for this
Ligand-Target Pair