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BDBM50402999 CHEMBL2207441

SMILES: Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(n[nH]1)-c1ccc2nccnc2c1)C(C)(C)C

InChI Key: InChIKey=JQSJFFRJYAGFLL-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 = 50402999   
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50402999
PNG
(CHEMBL2207441)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(n[nH]1)-c1ccc2nccnc2c1)C(C)(C)C
Show InChI InChI=1S/C26H26N8O/c1-16-5-8-18(9-6-16)34-24(15-22(33-34)26(2,3)4)30-25(35)29-23-14-20(31-32-23)17-7-10-19-21(13-17)28-12-11-27-19/h5-15H,1-4H3,(H3,29,30,31,32,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 473n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of FAK after 2hrs by fluorescence polarization assay


Bioorg Med Chem Lett 22: 7523-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.039
BindingDB Entry DOI: 10.7270/Q2319X2C
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50402999
PNG
(CHEMBL2207441)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(n[nH]1)-c1ccc2nccnc2c1)C(C)(C)C
Show InChI InChI=1S/C26H26N8O/c1-16-5-8-18(9-6-16)34-24(15-22(33-34)26(2,3)4)30-25(35)29-23-14-20(31-32-23)17-7-10-19-21(13-17)28-12-11-27-19/h5-15H,1-4H3,(H3,29,30,31,32,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His-tagged PYK2 using ATP as substrate incubated for 1 hr prior to substrate addition


Bioorg Med Chem Lett 22: 7523-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.039
BindingDB Entry DOI: 10.7270/Q2319X2C
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Mus musculus)
BDBM50402999
PNG
(CHEMBL2207441)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cc(n[nH]1)-c1ccc2nccnc2c1)C(C)(C)C
Show InChI InChI=1S/C26H26N8O/c1-16-5-8-18(9-6-16)34-24(15-22(33-34)26(2,3)4)30-25(35)29-23-14-20(31-32-23)17-7-10-19-21(13-17)28-12-11-27-19/h5-15H,1-4H3,(H3,29,30,31,32,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2 in mouse NIH-3T3 cells by LI-COR assay


Bioorg Med Chem Lett 22: 7523-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.039
BindingDB Entry DOI: 10.7270/Q2319X2C
More data for this
Ligand-Target Pair