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BDBM50065788 (E)-2-(3-carboxy-4-hydroxystyryl)-8-hydroxyquinoline-7-carboxylic acid::2-(3-carboxy-4-hydroxystyryl)-8-hydroxyquinoline-7-carboxylic acid::2-[(E)-2-(3-Carboxy-4-hydroxy-phenyl)-vinyl]-8-hydroxy-quinoline-7-carboxylic acid::2-[2-(3-Carboxy-4-hydroxy-phenyl)-vinyl]-8-hydroxy-quinoline-7-carboxylic acid::CHEMBL59548

SMILES: OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)nc2c1O

InChI Key: InChIKey=PGXQQFHHGWTJAA-ORCRQEGFSA-N

Data: 6 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 6 hits for monomerid = 50065788   
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
Integrase


(Human immunodeficiency virus 1)
BDBM50065788
PNG
((E)-2-(3-carboxy-4-hydroxystyryl)-8-hydroxyquinoli...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)nc2c1O
Show InChI InChI=1S/C19H13NO6/c21-15-8-2-10(9-14(15)19(25)26)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)20-12/h1-9,21-22H,(H,23,24)(H,25,26)/b5-1+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
HIV integrase inhibitory potency of the compound was evaluated as IC50 on 3' processing of target DNA.


J Med Chem 41: 2846-57 (1998)


Article DOI: 10.1021/jm980043e
BindingDB Entry DOI: 10.7270/Q21Z43JH
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065788
PNG
((E)-2-(3-carboxy-4-hydroxystyryl)-8-hydroxyquinoli...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)nc2c1O
Show InChI InChI=1S/C19H13NO6/c21-15-8-2-10(9-14(15)19(25)26)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)20-12/h1-9,21-22H,(H,23,24)(H,25,26)/b5-1+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
In vitro anti-HIV integrase activity of the compound was tested against integration(strand transfer) of target plasmid.


J Med Chem 41: 2846-57 (1998)


Article DOI: 10.1021/jm980043e
BindingDB Entry DOI: 10.7270/Q21Z43JH
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50065788
PNG
((E)-2-(3-carboxy-4-hydroxystyryl)-8-hydroxyquinoli...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)nc2c1O
Show InChI InChI=1S/C19H13NO6/c21-15-8-2-10(9-14(15)19(25)26)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)20-12/h1-9,21-22H,(H,23,24)(H,25,26)/b5-1+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.69E+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
Gag-Pol polyprotein


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
BDBM50065788
PNG
((E)-2-(3-carboxy-4-hydroxystyryl)-8-hydroxyquinoli...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)nc2c1O
Show InChI InChI=1S/C19H13NO6/c21-15-8-2-10(9-14(15)19(25)26)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)20-12/h1-9,21-22H,(H,23,24)(H,25,26)/b5-1+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



CNRS UMR 8532

Curated by ChEMBL


Assay Description
Inhibition of rous sarcoma virus (RSV) Integrase.


J Med Chem 43: 1949-57 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2RB759N
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50065788
PNG
((E)-2-(3-carboxy-4-hydroxystyryl)-8-hydroxyquinoli...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)nc2c1O
Show InChI InChI=1S/C19H13NO6/c21-15-8-2-10(9-14(15)19(25)26)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)20-12/h1-9,21-22H,(H,23,24)(H,25,26)/b5-1+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



CNRS UMR 8532

Curated by ChEMBL


Assay Description
Compound was tested in vitro to inhibit human immuno virus-1 (HIV-1) using enzymatic disintegration assay.


J Med Chem 43: 1949-57 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2RB759N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50065788
PNG
((E)-2-(3-carboxy-4-hydroxystyryl)-8-hydroxyquinoli...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)nc2c1O
Show InChI InChI=1S/C19H13NO6/c21-15-8-2-10(9-14(15)19(25)26)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)20-12/h1-9,21-22H,(H,23,24)(H,25,26)/b5-1+
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 3.10E+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