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BDBM50148026 CHEMBL3763790

SMILES: COc1ccc(\C=C\C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2O[C@H]2CCOC2)c(OC)c1OC

InChI Key: InChIKey=OELHXJQUNXVIPN-SQUITACLSA-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 = 50148026   
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))
BDBM50148026
PNG
(CHEMBL3763790)
Show SMILES COc1ccc(\C=C\C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2O[C@H]2CCOC2)c(OC)c1OC |r|
Show InChI InChI=1S/C30H28ClFN4O6/c1-38-25-8-4-17(28(39-2)29(25)40-3)5-9-27(37)36-24-13-20-23(14-26(24)42-19-10-11-41-15-19)33-16-34-30(20)35-18-6-7-22(32)21(31)12-18/h4-9,12-14,16,19H,10-11,15H2,1-3H3,(H,36,37)(H,33,34,35)/b9-5+/t19-/m0/s1
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 478n/an/an/an/an/an/a



Jiangxi Science& Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by addition of substrate by mobility s...


Bioorg Med Chem 24: 1495-503 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TCZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50148026
PNG
(CHEMBL3763790)
Show SMILES COc1ccc(\C=C\C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2O[C@H]2CCOC2)c(OC)c1OC |r|
Show InChI InChI=1S/C30H28ClFN4O6/c1-38-25-8-4-17(28(39-2)29(25)40-3)5-9-27(37)36-24-13-20-23(14-26(24)42-19-10-11-41-15-19)33-16-34-30(20)35-18-6-7-22(32)21(31)12-18/h4-9,12-14,16,19H,10-11,15H2,1-3H3,(H,36,37)(H,33,34,35)/b9-5+/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 3.60n/an/an/an/an/an/a



Jiangxi Science& Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by addition of substrate by mobility shi...


Bioorg Med Chem 24: 1495-503 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TCZ
More data for this
Ligand-Target Pair