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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50073638'   
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)		BDBM50073638
PNG
(2,3-Bis-[2-(3,4-dihydroxy-phenyl)-acetoxy]-succini...)
Show SMILES OC(=O)C(OC(=O)Cc1ccc(O)c(O)c1)C(OC(=O)Cc1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C20H18O12/c21-11-3-1-9(5-13(11)23)7-15(25)31-17(19(27)28)18(20(29)30)32-16(26)8-10-2-4-12(22)14(24)6-10/h1-6,17-18,21-24H,7-8H2,(H,27,28)(H,29,30)
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 880n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.

J Med Chem 42: 497-509 (1999)


Article DOI: 10.1021/jm9804735
BindingDB Entry DOI: 10.7270/Q2G161J5
More data for this
Ligand-Target Pair