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BDBM50531751 CHEMBL4543212

SMILES: Cc1ccc(cc1)-c1cn(Cc2ccc(cc2)-c2cnn(C)c2)nn1

InChI Key: InChIKey=VZHPNWDSQYCLOK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50531751   
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))
BDBM50531751
PNG
(CHEMBL4543212)
Show SMILES Cc1ccc(cc1)-c1cn(Cc2ccc(cc2)-c2cnn(C)c2)nn1
Show InChI InChI=1S/C20H19N5/c1-15-3-7-18(8-4-15)20-14-25(23-22-20)12-16-5-9-17(10-6-16)19-11-21-24(2)13-19/h3-11,13-14H,12H2,1-2H3
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 0.570n/an/an/an/an/an/a



The First Affiliated Hospital of Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 (unknown origin) after 1 hrs by ADP-Glo luminescence assay


Eur J Med Chem 164: 440-447 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.067
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50531751
PNG
(CHEMBL4543212)
Show SMILES Cc1ccc(cc1)-c1cn(Cc2ccc(cc2)-c2cnn(C)c2)nn1
Show InChI InChI=1S/C20H19N5/c1-15-3-7-18(8-4-15)20-14-25(23-22-20)12-16-5-9-17(10-6-16)19-11-21-24(2)13-19/h3-11,13-14H,12H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 77n/an/an/an/an/an/a



The First Affiliated Hospital of Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of Tie-2 (unknown origin) after 1 hrs by ADP-Glo luminescence assay


Eur J Med Chem 164: 440-447 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.067
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50531751
PNG
(CHEMBL4543212)
Show SMILES Cc1ccc(cc1)-c1cn(Cc2ccc(cc2)-c2cnn(C)c2)nn1
Show InChI InChI=1S/C20H19N5/c1-15-3-7-18(8-4-15)20-14-25(23-22-20)12-16-5-9-17(10-6-16)19-11-21-24(2)13-19/h3-11,13-14H,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



The First Affiliated Hospital of Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EphB4 (unknown origin) after 1 hrs by ADP-Glo luminescence assay


Eur J Med Chem 164: 440-447 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.067
More data for this
Ligand-Target Pair