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BDBM50144599 CHEMBL3760090

SMILES: COc1cc2c(Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)ncnc2cc1OCCCN1CCN(C)CC1

InChI Key: InChIKey=SYBFJVJKOITZFD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50144599   
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))
BDBM50144599
PNG
(CHEMBL3760090)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H33ClN6O3/c1-36-13-15-37(16-14-36)12-3-17-40-28-19-26-25(18-27(28)39-2)29(33-20-32-26)34-23-8-10-24(11-9-23)35-30(38)21-4-6-22(31)7-5-21/h4-11,18-20H,3,12-17H2,1-2H3,(H,35,38)(H,32,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.86E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR-2 preincubated for 10 mins followed by addition of FAM-labeled peptide and incubated for 10 mins by Caliper motility shift ...


Eur J Med Chem 109: 371-9 (2016)


BindingDB Entry DOI: 10.7270/Q2M32XKS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50144599
PNG
(CHEMBL3760090)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H33ClN6O3/c1-36-13-15-37(16-14-36)12-3-17-40-28-19-26-25(18-27(28)39-2)29(33-20-32-26)34-23-8-10-24(11-9-23)35-30(38)21-4-6-22(31)7-5-21/h4-11,18-20H,3,12-17H2,1-2H3,(H,35,38)(H,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.33E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR preincubated for 10 mins followed by addition of FAM-labeled peptide and incubated for 10 mins by Caliper motility shift ass...


Eur J Med Chem 109: 371-9 (2016)


BindingDB Entry DOI: 10.7270/Q2M32XKS
More data for this
Ligand-Target Pair