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BDBM50249453 2-(2,5-difluorobenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)phthalazin-1(2H)-one::CHEMBL516231

SMILES: Cc1cc(Nc2nn(Cc3cc(F)ccc3F)c(=O)c3ccccc23)[nH]n1

InChI Key: InChIKey=SVTBFGDAWVMFBQ-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50249453   
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))
BDBM50249453
PNG
(2-(2,5-difluorobenzyl)-4-(5-methyl-1H-pyrazol-3-yl...)
Show SMILES Cc1cc(Nc2nn(Cc3cc(F)ccc3F)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C19H15F2N5O/c1-11-8-17(24-23-11)22-18-14-4-2-3-5-15(14)19(27)26(25-18)10-12-9-13(20)6-7-16(12)21/h2-9H,10H2,1H3,(H2,22,23,24,25)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50249453
PNG
(2-(2,5-difluorobenzyl)-4-(5-methyl-1H-pyrazol-3-yl...)
Show SMILES Cc1cc(Nc2nn(Cc3cc(F)ccc3F)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C19H15F2N5O/c1-11-8-17(24-23-11)22-18-14-4-2-3-5-15(14)19(27)26(25-18)10-12-9-13(20)6-7-16(12)21/h2-9H,10H2,1H3,(H2,22,23,24,25)
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Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA


J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50249453
PNG
(2-(2,5-difluorobenzyl)-4-(5-methyl-1H-pyrazol-3-yl...)
Show SMILES Cc1cc(Nc2nn(Cc3cc(F)ccc3F)c(=O)c3ccccc23)[nH]n1
Show InChI InChI=1S/C19H15F2N5O/c1-11-8-17(24-23-11)22-18-14-4-2-3-5-15(14)19(27)26(25-18)10-12-9-13(20)6-7-16(12)21/h2-9H,10H2,1H3,(H2,22,23,24,25)
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Article
PubMed
n/an/a 2.29E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Syk (unknown origin)


Bioorg Med Chem Lett 19: 1944-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.049
BindingDB Entry DOI: 10.7270/Q2WM1D98
More data for this
Ligand-Target Pair