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BDBM4328 4-(2,2-dicyanoeth-1-en-1-yl)benzoic acid::benzylidenemalononitrile (BMN) deriv. 12

SMILES: [#8]-[#6](=O)-c1ccc(\[#6]=[#6](/C#N)C#N)cc1

InChI Key: InChIKey=KWXWJXVSQZFADE-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 4328   
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))
BDBM4328
PNG
(4-(2,2-dicyanoeth-1-en-1-yl)benzoic acid | benzyli...)
Show SMILES OC(=O)c1ccc(C=C(C#N)C#N)cc1
Show InChI InChI=1S/C11H6N2O2/c12-6-9(7-13)5-8-1-3-10(4-2-8)11(14)15/h1-5H,(H,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
1.43E+5 -5.19 4.30E+5n/an/an/an/a7.622



Hebrew University of Jerusalem



Assay Description
The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.


J Med Chem 32: 2344-52 (1989)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q2G44NHF
More data for this
Ligand-Target Pair