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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 integrase' and Ligand = 'BDBM50123471'   
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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50123471
PNG
((4-Benzyl-pyridin-2-yl)-(8-hydroxy-quinolin-7-yl)-...)
Show SMILES Oc1c(ccc2cccnc12)C(=O)c1cc(Cc2ccccc2)ccn1
Show InChI InChI=1S/C22H16N2O2/c25-21(18-9-8-17-7-4-11-24-20(17)22(18)26)19-14-16(10-12-23-19)13-15-5-2-1-3-6-15/h1-12,14,26H,13H2
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
Strand transfer inhibitory activity against HIV-1 integrase


J Med Chem 48: 7084-8 (2005)


Article DOI: 10.1021/jm050549e
BindingDB Entry DOI: 10.7270/Q27W6BR1
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50123471
PNG
((4-Benzyl-pyridin-2-yl)-(8-hydroxy-quinolin-7-yl)-...)
Show SMILES Oc1c(ccc2cccnc12)C(=O)c1cc(Cc2ccccc2)ccn1
Show InChI InChI=1S/C22H16N2O2/c25-21(18-9-8-17-7-4-11-24-20(17)22(18)26)19-14-16(10-12-23-19)13-15-5-2-1-3-6-15/h1-12,14,26H,13H2
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit the strand transfer of the integration process catalyzed by HIV integrase


J Med Chem 46: 453-6 (2003)


Article DOI: 10.1021/jm025553u
BindingDB Entry DOI: 10.7270/Q24T6HRG
More data for this
Ligand-Target Pair