BindingDB logo
myBDB logout

null

SMILES: COC(=O)c1cccc(Nc2nc(Nc3cc(OC)c(OC)c(OC)c3)n3ccnc3n2)c1

InChI Key: InChIKey=RQONXSBHUKEWML-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 1 hit for monomerid = 50059161   
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))		BDBM50059161
PNG
(CHEMBL3393175)
Show SMILES COC(=O)c1cccc(Nc2nc(Nc3cc(OC)c(OC)c(OC)c3)n3ccnc3n2)c1
Show InChI InChI=1S/C22H22N6O5/c1-30-16-11-15(12-17(31-2)18(16)32-3)25-22-27-20(26-21-23-8-9-28(21)22)24-14-7-5-6-13(10-14)19(29)33-4/h5-12H,1-4H3,(H2,23,24,25,26,27)
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 1.20E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay

J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair