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BDBM4360 (3,4,5,B-Tetrahydroxybenzylidene)malononitrile::2-[hydroxy(3,4,5-trihydroxyphenyl)methylidene]propanedinitrile::benzylidenemalononitrile (BMN) deriv. 44

SMILES: Oc1cc(cc(O)c1O)C(=O)C(C#N)C#N

InChI Key: InChIKey=XHBPHEXPTIFHND-UHFFFAOYSA-N

Data: 1 KI  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 = 4360   
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))
BDBM4360
PNG
((3,4,5,B-Tetrahydroxybenzylidene)malononitrile | 2...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)C(C#N)C#N
Show InChI InChI=1S/C10H6N2O4/c11-3-6(4-12)9(15)5-1-7(13)10(16)8(14)2-5/h1-2,6,13-14,16H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.50E+3n/a 1.35E+4n/an/an/an/an/an/a



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/jm00130a020
BindingDB Entry DOI: 10.7270/Q2G44NHF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4360
PNG
((3,4,5,B-Tetrahydroxybenzylidene)malononitrile | 2...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)C(C#N)C#N
Show InChI InChI=1S/C10H6N2O4/c11-3-6(4-12)9(15)5-1-7(13)10(16)8(14)2-5/h1-2,6,13-14,16H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
More data for this
Ligand-Target Pair