BindingDB logo
myBDB logout

null

SMILES: CNC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)C(=O)N2CCN(CC2)C(=S)SCCN(C)C)n1

InChI Key: InChIKey=KQBOVKMESRRNOP-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 = 50513277   
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))		BDBM50513277
PNG
(CHEMBL4453262)
Show SMILES CNC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)C(=O)N2CCN(CC2)C(=S)SCCN(C)C)n1
Show InChI InChI=1S/C28H34N8O2S2/c1-29-25(37)22-6-4-5-7-23(22)32-24-12-13-30-27(33-24)31-21-10-8-20(9-11-21)26(38)35-14-16-36(17-15-35)28(39)40-19-18-34(2)3/h4-13H,14-19H2,1-3H3,(H,29,37)(H2,30,31,32,33)
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 316n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


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

Eur J Med Chem 177: 32-46 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.048
More data for this
Ligand-Target Pair