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SMILES: CN(c1ncccc1CNc1ncnc2[nH]ccc12)S(C)(=O)=O

InChI Key: InChIKey=PCYSSBDVKUPKCJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50425664   
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))
BDBM50425664
PNG
(CHEMBL2315559)
Show SMILES CN(c1ncccc1CNc1ncnc2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1S/C14H16N6O2S/c1-20(23(2,21)22)14-10(4-3-6-16-14)8-17-13-11-5-7-15-12(11)18-9-19-13/h3-7,9H,8H2,1-2H3,(H2,15,17,18,19)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 3.10E+3n/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Binding affinity to FAK (unknown origin) by surface plasmon resonance analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50425664
PNG
(CHEMBL2315559)
Show SMILES CN(c1ncccc1CNc1ncnc2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1S/C14H16N6O2S/c1-20(23(2,21)22)14-10(4-3-6-16-14)8-17-13-11-5-7-15-12(11)18-9-19-13/h3-7,9H,8H2,1-2H3,(H2,15,17,18,19)
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 8.90E+3n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair