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SMILES: FC(F)(F)c1cnc2Nc3ccc4N(CCc4c3)C(=O)CCCNS(=O)(=O)c3ncccc3CNc1n2

InChI Key: InChIKey=HIOYYLSBJMMPNZ-UHFFFAOYSA-N

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 2 hits for monomerid = 50207348   
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))
BDBM50207348
PNG
(CHEMBL3912281)
Show SMILES FC(F)(F)c1cnc2Nc3ccc4N(CCc4c3)C(=O)CCCNS(=O)(=O)c3ncccc3CNc1n2
Show InChI InChI=1S/C23H22F3N7O3S/c24-23(25,26)17-13-29-22-31-16-5-6-18-14(11-16)7-10-33(18)19(34)4-2-9-30-37(35,36)21-15(3-1-8-27-21)12-28-20(17)32-22/h1,3,5-6,8,11,13,30H,2,4,7,9-10,12H2,(H2,28,29,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NH2-terminal His6-tagged FAK kinase domain (410 to 689 residues) (unknown origin) expressed in baculovirus infected sf9 cells using p(G...


Bioorg Med Chem Lett 26: 5926-5930 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.092
BindingDB Entry DOI: 10.7270/Q2ST7RTJ
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50207348
PNG
(CHEMBL3912281)
Show SMILES FC(F)(F)c1cnc2Nc3ccc4N(CCc4c3)C(=O)CCCNS(=O)(=O)c3ncccc3CNc1n2
Show InChI InChI=1S/C23H22F3N7O3S/c24-23(25,26)17-13-29-22-31-16-5-6-18-14(11-16)7-10-33(18)19(34)4-2-9-30-37(35,36)21-15(3-1-8-27-21)12-28-20(17)32-22/h1,3,5-6,8,11,13,30H,2,4,7,9-10,12H2,(H2,28,29,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells


Bioorg Med Chem Lett 26: 5926-5930 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.092
BindingDB Entry DOI: 10.7270/Q2ST7RTJ
More data for this
Ligand-Target Pair