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BDBM50065784 4-[(E)-2-(8-Nitro-quinolin-2-yl)-vinyl]-benzene-1,2-diol::4-[2-(8-Nitro-quinolin-2-yl)-vinyl]-benzene-1,2-diol::CHEMBL61800

SMILES: Oc1ccc(\C=C\c2ccc3cccc([N+]([O-])=O)c3n2)cc1O

InChI Key: InChIKey=SUQHOZYLBZTZAT-QPJJXVBHSA-N

Data: 5 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 5 hits for monomerid = 50065784   
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)
BDBM50065784
PNG
(4-[(E)-2-(8-Nitro-quinolin-2-yl)-vinyl]-benzene-1,...)
Show SMILES Oc1ccc(\C=C\c2ccc3cccc([N+]([O-])=O)c3n2)cc1O
Show InChI InChI=1S/C17H12N2O4/c20-15-9-5-11(10-16(15)21)4-7-13-8-6-12-2-1-3-14(19(22)23)17(12)18-13/h1-10,20-21H/b7-4+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>1.00E+5n/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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50065784
PNG
(4-[(E)-2-(8-Nitro-quinolin-2-yl)-vinyl]-benzene-1,...)
Show SMILES Oc1ccc(\C=C\c2ccc3cccc([N+]([O-])=O)c3n2)cc1O
Show InChI InChI=1S/C17H12N2O4/c20-15-9-5-11(10-16(15)21)4-7-13-8-6-12-2-1-3-14(19(22)23)17(12)18-13/h1-10,20-21H/b7-4+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>1.00E+5n/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)
BDBM50065784
PNG
(4-[(E)-2-(8-Nitro-quinolin-2-yl)-vinyl]-benzene-1,...)
Show SMILES Oc1ccc(\C=C\c2ccc3cccc([N+]([O-])=O)c3n2)cc1O
Show InChI InChI=1S/C17H12N2O4/c20-15-9-5-11(10-16(15)21)4-7-13-8-6-12-2-1-3-14(19(22)23)17(12)18-13/h1-10,20-21H/b7-4+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+5n/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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50065784
PNG
(4-[(E)-2-(8-Nitro-quinolin-2-yl)-vinyl]-benzene-1,...)
Show SMILES Oc1ccc(\C=C\c2ccc3cccc([N+]([O-])=O)c3n2)cc1O
Show InChI InChI=1S/C17H12N2O4/c20-15-9-5-11(10-16(15)21)4-7-13-8-6-12-2-1-3-14(19(22)23)17(12)18-13/h1-10,20-21H/b7-4+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



CNRS UMR 8532

Curated by ChEMBL


Assay Description
Inhibition of human immunodeficiency virus-1 (HIV-1) integrase.


J Med Chem 43: 1949-57 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2RB759N
More data for this
Ligand-Target Pair
Rous sarcoma virus integrase


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
BDBM50065784
PNG
(4-[(E)-2-(8-Nitro-quinolin-2-yl)-vinyl]-benzene-1,...)
Show SMILES Oc1ccc(\C=C\c2ccc3cccc([N+]([O-])=O)c3n2)cc1O
Show InChI InChI=1S/C17H12N2O4/c20-15-9-5-11(10-16(15)21)4-7-13-8-6-12-2-1-3-14(19(22)23)17(12)18-13/h1-10,20-21H/b7-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/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