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SMILES: OC(=O)C(=O)CC(=O)c1ccn(Cc2ccccc2)c1

InChI Key: InChIKey=GJYDUMPZXNVODS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50095508   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Integrase


(Human immunodeficiency virus 1)		BDBM50095508
PNG
(4-(1-Benzyl-1H-pyrrol-3-yl)-2,4-dioxo-butyric acid...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccn(Cc2ccccc2)c1
Show InChI InChI=1S/C15H13NO4/c17-13(8-14(18)15(19)20)12-6-7-16(10-12)9-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20)
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n/an/a 600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.

J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair