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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM50554449'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50554449
PNG
(CHEMBL4750273)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNc3c(NCCNC(=O)C(=C\C4CC4)\C#N)c(=O)c3=O)cc2)ncc1Cl
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Covalent inhibition of recombinant human N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Pol...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01059
BindingDB Entry DOI: 10.7270/Q2F193CK
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50554449
PNG
(CHEMBL4750273)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNc3c(NCCNC(=O)C(=C\C4CC4)\C#N)c(=O)c3=O)cc2)ncc1Cl
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Gl...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01059
BindingDB Entry DOI: 10.7270/Q2F193CK
More data for this
Ligand-Target Pair