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PubMed code 16289813

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrase


(Human immunodeficiency virus 1)
BDBM50177220
PNG
(2-(3-chlorostyryl)quinoline-7-carboxylic acid | 2-...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3cccc(Cl)c3)nc2c1
Show InChI InChI=1S/C18H12ClNO2/c19-15-3-1-2-12(10-15)4-8-16-9-7-13-5-6-14(18(21)22)11-17(13)20-16/h1-11H,(H,21,22)/b8-4+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2.30E+5n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 integrase


Bioorg Med Chem Lett 16: 1005-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.083
BindingDB Entry DOI: 10.7270/Q2QR4WQD
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50177219
PNG
((E)-2-(3-chlorostyryl)quinolin-8-ol | 2-(3-chloros...)
Show SMILES Oc1cccc2ccc(\C=C\c3cccc(Cl)c3)nc12
Show InChI InChI=1S/C17H12ClNO/c18-14-5-1-3-12(11-14)7-9-15-10-8-13-4-2-6-16(20)17(13)19-15/h1-11,20H/b9-7+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+5n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 integrase


Bioorg Med Chem Lett 16: 1005-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.083
BindingDB Entry DOI: 10.7270/Q2QR4WQD
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50177218
PNG
(2-((2,5-dichloro-4-nitrophenylamino)(methoxy)methy...)
Show SMILES COC(Nc1cc(Cl)c(cc1Cl)[N+]([O-])=O)c1ccc2cccc(O)c2n1
Show InChI InChI=1S/C17H13Cl2N3O4/c1-26-17(12-6-5-9-3-2-4-15(23)16(9)20-12)21-13-7-11(19)14(22(24)25)8-10(13)18/h2-8,17,21,23H,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+5n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 integrase


Bioorg Med Chem Lett 16: 1005-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.083
BindingDB Entry DOI: 10.7270/Q2QR4WQD
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50177217
PNG
(2-methyl-5-nitrosoquinolin-8-ol | CHEMBL202318)
Show SMILES Cc1ccc2c(ccc(O)c2n1)N=O
Show InChI InChI=1S/C10H8N2O2/c1-6-2-3-7-8(12-14)4-5-9(13)10(7)11-6/h2-5,13H,1H3
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>3.33E+5n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 integrase


Bioorg Med Chem Lett 16: 1005-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.083
BindingDB Entry DOI: 10.7270/Q2QR4WQD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%