BindingDB logo
myBDB logout

BDBM50042947 1-(4-Chloro-phenyl)-3-(4-hydroxy-3-methoxy-phenyl)-propenone::1-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one::4'-chloro-3-methoxy-4-hydroxychalcone::CHEMBL126657::Chalcone 4

SMILES: COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O

InChI Key: InChIKey=KCTNGNPVURILGU-KRXBUXKQSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50042947   
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
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50042947
PNG
(1-(4-Chloro-phenyl)-3-(4-hydroxy-3-methoxy-phenyl)...)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O
Show InChI InChI=1S/C16H13ClO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
53n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFP-tagged human CXCR4 expressed in HEK293 cells assessed as inhibition of CXCL12-TR binding incubated for 5 mins prior to CXCL12-TR a...


ACS Med Chem Lett 3: 10-14 (2012)


Article DOI: 10.1021/ml200017d
BindingDB Entry DOI: 10.7270/Q27H1KR7
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042947
PNG
(1-(4-Chloro-phenyl)-3-(4-hydroxy-3-methoxy-phenyl)...)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O
Show InChI InChI=1S/C16H13ClO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 8.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Chemokine CXCL12


(Homo sapiens (Human))
BDBM50042947
PNG
(1-(4-Chloro-phenyl)-3-(4-hydroxy-3-methoxy-phenyl)...)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O
Show InChI InChI=1S/C16H13ClO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+5n/an/an/an/an/a20



Université Louis Pasteur



Assay Description
Binding of chalcone 4 and chlcone 1 to CSCL12 was examined by monitoring changes in the emission intensity of intrinsic Trp fluorescence of the chemo...


J Biol Chem 283: 23189-99 (2008)


Article DOI: 10.1074/jbc.M803947200
BindingDB Entry DOI: 10.7270/Q23X858J
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042947
PNG
(1-(4-Chloro-phenyl)-3-(4-hydroxy-3-methoxy-phenyl)...)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O
Show InChI InChI=1S/C16H13ClO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair