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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50409866'   
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)
BDBM50409866
PNG
(CHEMBL337606)
Show SMILES Cc1cc(c(S)cc1Cl)S(=O)(=O)Nc1nnc2ccc3ccccc3n12
Show InChI InChI=1S/C17H13ClN4O2S2/c1-10-8-15(14(25)9-12(10)18)26(23,24)21-17-20-19-16-7-6-11-4-2-3-5-13(11)22(16)17/h2-9,25H,1H3,(H,20,21)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 7.41E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA strand transfer by HIV integrase


J Med Chem 47: 385-99 (2004)


Article DOI: 10.1021/jm030378i
BindingDB Entry DOI: 10.7270/Q2M61MFX
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50409866
PNG
(CHEMBL337606)
Show SMILES Cc1cc(c(S)cc1Cl)S(=O)(=O)Nc1nnc2ccc3ccccc3n12
Show InChI InChI=1S/C17H13ClN4O2S2/c1-10-8-15(14(25)9-12(10)18)26(23,24)21-17-20-19-16-7-6-11-4-2-3-5-13(11)22(16)17/h2-9,25H,1H3,(H,20,21)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.29E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory activity against 3' processing by HIV integrase


J Med Chem 47: 385-99 (2004)


Article DOI: 10.1021/jm030378i
BindingDB Entry DOI: 10.7270/Q2M61MFX
More data for this
Ligand-Target Pair