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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50409867'   
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)
BDBM50409867
PNG
(CHEMBL128856)
Show SMILES Cc1cc(c(S)cc1Cl)S(=O)(=O)Nc1nc2ccccc2nc1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H15ClN4O4S2/c1-12-9-19(18(31)11-15(12)22)32(29,30)25-21-20(13-5-4-6-14(10-13)26(27)28)23-16-7-2-3-8-17(16)24-21/h2-11,31H,1H3,(H,24,25)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 7.94E+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)
BDBM50409867
PNG
(CHEMBL128856)
Show SMILES Cc1cc(c(S)cc1Cl)S(=O)(=O)Nc1nc2ccccc2nc1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H15ClN4O4S2/c1-12-9-19(18(31)11-15(12)22)32(29,30)25-21-20(13-5-4-6-14(10-13)26(27)28)23-16-7-2-3-8-17(16)24-21/h2-11,31H,1H3,(H,24,25)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.51E+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