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BDBM50087424 (E)-8-hydroxy-2-(4-hydroxy-3,5-dimethoxystyryl)quinoline-7-carboxylic acid::8-Hydroxy-2-[2-(4-hydroxy-3,5-dimethoxy-phenyl)-vinyl]-quinoline-7-carboxylic acid::8-hydroxy-2-(4-hydroxy-3,5-dimethoxystyryl)quinoline-7-carboxylic acid::CHEMBL37431

SMILES: COc1cc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(OC)c1O

InChI Key: InChIKey=JAYZCPRQQOZLMY-ZZXKWVIFSA-N

Data: 4 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 = 50087424   
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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50087424
PNG
((E)-8-hydroxy-2-(4-hydroxy-3,5-dimethoxystyryl)qui...)
Show SMILES COc1cc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(OC)c1O
Show InChI InChI=1S/C20H17NO6/c1-26-15-9-11(10-16(27-2)19(15)23)3-6-13-7-4-12-5-8-14(20(24)25)18(22)17(12)21-13/h3-10,22-23H,1-2H3,(H,24,25)/b6-3+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087424
PNG
((E)-8-hydroxy-2-(4-hydroxy-3,5-dimethoxystyryl)qui...)
Show SMILES COc1cc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(OC)c1O
Show InChI InChI=1S/C20H17NO6/c1-26-15-9-11(10-16(27-2)19(15)23)3-6-13-7-4-12-5-8-14(20(24)25)18(22)17(12)21-13/h3-10,22-23H,1-2H3,(H,24,25)/b6-3+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3' processing activity


Eur J Med Chem 43: 81-92 (2008)


Article DOI: 10.1016/j.ejmech.2007.02.021
BindingDB Entry DOI: 10.7270/Q24170XZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50087424
PNG
((E)-8-hydroxy-2-(4-hydroxy-3,5-dimethoxystyryl)qui...)
Show SMILES COc1cc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(OC)c1O
Show InChI InChI=1S/C20H17NO6/c1-26-15-9-11(10-16(27-2)19(15)23)3-6-13-7-4-12-5-8-14(20(24)25)18(22)17(12)21-13/h3-10,22-23H,1-2H3,(H,24,25)/b6-3+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50087424
PNG
((E)-8-hydroxy-2-(4-hydroxy-3,5-dimethoxystyryl)qui...)
Show SMILES COc1cc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(OC)c1O
Show InChI InChI=1S/C20H17NO6/c1-26-15-9-11(10-16(27-2)19(15)23)3-6-13-7-4-12-5-8-14(20(24)25)18(22)17(12)21-13/h3-10,22-23H,1-2H3,(H,24,25)/b6-3+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair