new BindingDB logo
myBDB logout

BDBM50115311 4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-carbothioic acid (3-nitro-phenyl)-amide::CHEMBL322659

SMILES: COc1cc2ncnc(N3CCN(CC3)C(=[SH+])[N-]c3cccc(c3)[N+]([O-])=O)c2cc1OC

InChI Key: InChIKey=PXEYYEVRVVHFMR-UHFFFAOYSA-N

Data: 1 IC50

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 = 50115311   
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
VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta)


(Homo sapiens (human))
BDBM50115311
PNG
(4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=[SH+])[N-]c3cccc(c3)[N+]([O-])=O)c2cc1OC
Show InChI InChI=1S/C21H22N6O4S/c1-30-18-11-16-17(12-19(18)31-2)22-13-23-20(16)25-6-8-26(9-7-25)21(32)24-14-4-3-5-15(10-14)27(28)29/h3-5,10-13H,6-9H2,1-2H3,(H,24,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 190n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor beta phosphorylation


Citation and Details
More data for this
Ligand-Target Pair