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BDBM50087429 (E)-2-(3,5-dibromo-4-hydroxystyryl)-8-hydroxyquinoline-7-carboxylic acid::2-(3,5-dibromo-4-hydroxystyryl)-8-hydroxyquinoline-7-carboxylic acid::2-[2-(3,5-Dibromo-4-hydroxy-phenyl)-vinyl]-8-hydroxy-quinoline-7-carboxylic acid::CHEMBL39301

SMILES: OC(=O)c1ccc2ccc(\C=C\c3cc(Br)c(O)c(Br)c3)nc2c1O

InChI Key: InChIKey=KMJJJIOBTAPKHD-DAFODLJHSA-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 = 50087429   
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)
BDBM50087429
PNG
((E)-2-(3,5-dibromo-4-hydroxystyryl)-8-hydroxyquino...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(Br)c(O)c(Br)c3)nc2c1O
Show InChI InChI=1S/C18H11Br2NO4/c19-13-7-9(8-14(20)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)21-11/h1-8,22-23H,(H,24,25)/b4-1+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 1.30E+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)
BDBM50087429
PNG
((E)-2-(3,5-dibromo-4-hydroxystyryl)-8-hydroxyquino...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(Br)c(O)c(Br)c3)nc2c1O
Show InChI InChI=1S/C18H11Br2NO4/c19-13-7-9(8-14(20)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)21-11/h1-8,22-23H,(H,24,25)/b4-1+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.29E+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))
BDBM50087429
PNG
((E)-2-(3,5-dibromo-4-hydroxystyryl)-8-hydroxyquino...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(Br)c(O)c(Br)c3)nc2c1O
Show InChI InChI=1S/C18H11Br2NO4/c19-13-7-9(8-14(20)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)21-11/h1-8,22-23H,(H,24,25)/b4-1+
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 2.10E+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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50087429
PNG
((E)-2-(3,5-dibromo-4-hydroxystyryl)-8-hydroxyquino...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cc(Br)c(O)c(Br)c3)nc2c1O
Show InChI InChI=1S/C18H11Br2NO4/c19-13-7-9(8-14(20)17(13)23)1-4-11-5-2-10-3-6-12(18(24)25)16(22)15(10)21-11/h1-8,22-23H,(H,24,25)/b4-1+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 1.20E+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