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BDBM50215749 4-(2-(3-(4-(trifluoromethyl)-1H-imidazol-2-yl)-1H-pyrazol-4-yl)vinyl)isoquinoline::CHEMBL246167

SMILES: FC(F)(F)c1cnc([nH]1)-c1n[nH]cc1C=Cc1cncc2ccccc12

InChI Key: InChIKey=FVEOSFBMLSDRHJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50215749   
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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50215749
PNG
(4-(2-(3-(4-(trifluoromethyl)-1H-imidazol-2-yl)-1H-...)
Show SMILES FC(F)(F)c1cnc([nH]1)-c1n[nH]cc1C=Cc1cncc2ccccc12 |w:15.17|
Show InChI InChI=1S/C18H12F3N5/c19-18(20,21)15-10-23-17(25-15)16-13(9-24-26-16)6-5-12-8-22-7-11-3-1-2-4-14(11)12/h1-10H,(H,23,25)(H,24,26)
PDB
MMDB

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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 3.06E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 17: 4557-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.092
BindingDB Entry DOI: 10.7270/Q2DB81JD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50215749
PNG
(4-(2-(3-(4-(trifluoromethyl)-1H-imidazol-2-yl)-1H-...)
Show SMILES FC(F)(F)c1cnc([nH]1)-c1n[nH]cc1C=Cc1cncc2ccccc12 |w:15.17|
Show InChI InChI=1S/C18H12F3N5/c19-18(20,21)15-10-23-17(25-15)16-13(9-24-26-16)6-5-12-8-22-7-11-3-1-2-4-14(11)12/h1-10H,(H,23,25)(H,24,26)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A


Bioorg Med Chem Lett 17: 4557-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.092
BindingDB Entry DOI: 10.7270/Q2DB81JD
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50215749
PNG
(4-(2-(3-(4-(trifluoromethyl)-1H-imidazol-2-yl)-1H-...)
Show SMILES FC(F)(F)c1cnc([nH]1)-c1n[nH]cc1C=Cc1cncc2ccccc12 |w:15.17|
Show InChI InChI=1S/C18H12F3N5/c19-18(20,21)15-10-23-17(25-15)16-13(9-24-26-16)6-5-12-8-22-7-11-3-1-2-4-14(11)12/h1-10H,(H,23,25)(H,24,26)
PDB
MMDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 3.27E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of HER2


Bioorg Med Chem Lett 17: 4557-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.092
BindingDB Entry DOI: 10.7270/Q2DB81JD
More data for this
Ligand-Target Pair