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BDBM50482644 CHEMBL1224052

SMILES: Cc1ccc(\C=C\C(=O)N2CCN(CCCNC(=O)c3cc(O)c(O)c(O)c3)CC2)cc1

InChI Key: InChIKey=RTPNTKLGUUHIBG-BQYQJAHWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50482644   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrase


(Human immunodeficiency virus 1)
BDBM50482644
PNG
(CHEMBL1224052)
Show SMILES Cc1ccc(\C=C\C(=O)N2CCN(CCCNC(=O)c3cc(O)c(O)c(O)c3)CC2)cc1
Show InChI InChI=1S/C24H29N3O5/c1-17-3-5-18(6-4-17)7-8-22(30)27-13-11-26(12-14-27)10-2-9-25-24(32)19-15-20(28)23(31)21(29)16-19/h3-8,15-16,28-29,31H,2,9-14H2,1H3,(H,25,32)/b8-7+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.75E+4n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity after 1 hr


Bioorg Med Chem Lett 20: 5469-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.087
BindingDB Entry DOI: 10.7270/Q2W3804J
More data for this
Ligand-Target Pair