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BDBM50144602 CHEMBL3759127

SMILES: COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCN(C)CC1

InChI Key: InChIKey=ODNMSCZTRWQCLL-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50144602   
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))
BDBM50144602
PNG
(CHEMBL3759127)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H34N6O3/c1-35-14-16-36(17-15-35)13-6-18-39-28-20-26-25(19-27(28)38-2)29(32-21-31-26)33-23-9-11-24(12-10-23)34-30(37)22-7-4-3-5-8-22/h3-5,7-12,19-21H,6,13-18H2,1-2H3,(H,34,37)(H,31,32,33)
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 560n/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))
BDBM50144602
PNG
(CHEMBL3759127)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H34N6O3/c1-35-14-16-36(17-15-35)13-6-18-39-28-20-26-25(19-27(28)38-2)29(32-21-31-26)33-23-9-11-24(12-10-23)34-30(37)22-7-4-3-5-8-22/h3-5,7-12,19-21H,6,13-18H2,1-2H3,(H,34,37)(H,31,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 130n/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