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SMILES: N#Cc1cnc(Nc2cc(ncn2)N2CCNCC2)s1

InChI Key: InChIKey=LTSAIVCADIPFKF-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 2 hits for monomerid = 50179422   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50179422
PNG
(2-(6-(piperazin-1-yl)pyrimidin-4-ylamino)thiazole-...)
Show SMILES N#Cc1cnc(Nc2cc(ncn2)N2CCNCC2)s1
Show InChI InChI=1S/C12H13N7S/c13-6-9-7-15-12(20-9)18-10-5-11(17-8-16-10)19-3-1-14-2-4-19/h5,7-8,14H,1-4H2,(H,15,16,17,18)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR expressed in HEK293 cells by KDR autophosphorylation assay


Bioorg Med Chem Lett 16: 1146-50 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.089
BindingDB Entry DOI: 10.7270/Q279448N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50179422
PNG
(2-(6-(piperazin-1-yl)pyrimidin-4-ylamino)thiazole-...)
Show SMILES N#Cc1cnc(Nc2cc(ncn2)N2CCNCC2)s1
Show InChI InChI=1S/C12H13N7S/c13-6-9-7-15-12(20-9)18-10-5-11(17-8-16-10)19-3-1-14-2-4-19/h5,7-8,14H,1-4H2,(H,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 16: 1146-50 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.089
BindingDB Entry DOI: 10.7270/Q279448N
More data for this
Ligand-Target Pair