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SMILES: CC(C)Oc1ccc(Cc2ccccc2)cc1C(=O)CC(=O)C(O)=O

InChI Key: InChIKey=DDXXGVQDTXIWMM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50023915   
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)		BDBM50023915
PNG
(CHEMBL343646)
Show SMILES CC(C)Oc1ccc(Cc2ccccc2)cc1C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C20H20O5/c1-13(2)25-19-9-8-15(10-14-6-4-3-5-7-14)11-16(19)17(21)12-18(22)20(23)24/h3-9,11,13H,10,12H2,1-2H3,(H,23,24)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a<100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against recombinant HIV-1 Integrase (0.1 uM) 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