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BDBM50210747 CHEMBL3968039

SMILES: COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1

InChI Key: InChIKey=NBDUYVCAGYKHNT-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 = 50210747   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50210747
PNG
(CHEMBL3968039)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C32H38ClN7O3/c1-21-6-7-23(16-22(21)2)37-32(41)38-27-9-8-24(17-26(27)33)36-31-25-18-29(42-4)30(19-28(25)34-20-35-31)43-15-5-10-40-13-11-39(3)12-14-40/h6-9,16-20H,5,10-15H2,1-4H3,(H,34,35,36)(H2,37,38,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50210747
PNG
(CHEMBL3968039)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C32H38ClN7O3/c1-21-6-7-23(16-22(21)2)37-32(41)38-27-9-8-24(17-26(27)33)36-31-25-18-29(42-4)30(19-28(25)34-20-35-31)43-15-5-10-40-13-11-39(3)12-14-40/h6-9,16-20H,5,10-15H2,1-4H3,(H,34,35,36)(H2,37,38,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 79n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human VEGFR-2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated f...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair