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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50477984'   
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)
BDBM50477984
PNG
(CHEMBL260096)
Show SMILES CCOc1cc(\C=C2\C(C)=NN(C2=O)c2nnn[nH]2)ccc1OC |c:9|
Show InChI InChI=1S/C15H16N6O3/c1-4-24-13-8-10(5-6-12(13)23-3)7-11-9(2)18-21(14(11)22)15-16-19-20-17-15/h5-8H,4H2,1-3H3,(H,16,17,19,20)/b11-7-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477984
PNG
(CHEMBL260096)
Show SMILES CCOc1cc(\C=C2\C(C)=NN(C2=O)c2nnn[nH]2)ccc1OC |c:9|
Show InChI InChI=1S/C15H16N6O3/c1-4-24-13-8-10(5-6-12(13)23-3)7-11-9(2)18-21(14(11)22)15-16-19-20-17-15/h5-8H,4H2,1-3H3,(H,16,17,19,20)/b11-7-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 75n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair