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BDBM50045922 5-[2-(3-Hydroxy-phenyl)-vinyl]-benzene-1,3-diol::CHEMBL99852

SMILES: Oc1cccc(\C=C\c2cc(O)cc(O)c2)c1

InChI Key: InChIKey=QUGCFFKLKWANMQ-SNAWJCMRSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50045922   
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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50045922
PNG
(5-[2-(3-Hydroxy-phenyl)-vinyl]-benzene-1,3-diol | ...)
Show SMILES Oc1cccc(\C=C\c2cc(O)cc(O)c2)c1
Show InChI InChI=1S/C14H12O3/c15-12-3-1-2-10(6-12)4-5-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b5-4+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition of protein-tyrosine kinase p56lck using angiotensin I (1.2 mM) and [gamma-32P]-ATP (50 pM)


J Med Chem 36: 2950-5 (1993)


BindingDB Entry DOI: 10.7270/Q23J3C2N
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50045922
PNG
(5-[2-(3-Hydroxy-phenyl)-vinyl]-benzene-1,3-diol | ...)
Show SMILES Oc1cccc(\C=C\c2cc(O)cc(O)c2)c1
Show InChI InChI=1S/C14H12O3/c15-12-3-1-2-10(6-12)4-5-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b5-4+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Hyogo University of Health Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as induction of calcium influx at 30 uM after 6 mins by Fluo-4 dye-based assay


Bioorg Med Chem Lett 27: 3167-3172 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.025
BindingDB Entry DOI: 10.7270/Q2TH8Q4R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50045922
PNG
(5-[2-(3-Hydroxy-phenyl)-vinyl]-benzene-1,3-diol | ...)
Show SMILES Oc1cccc(\C=C\c2cc(O)cc(O)c2)c1
Show InChI InChI=1S/C14H12O3/c15-12-3-1-2-10(6-12)4-5-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b5-4+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Hyogo University of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human TRPA1 expressed in HEK293 cells assessed as decrease in AITC-induced calcium influx preincubated for 6 mins followed by AITC addi...


Bioorg Med Chem Lett 27: 3167-3172 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.025
BindingDB Entry DOI: 10.7270/Q2TH8Q4R
More data for this
Ligand-Target Pair