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SMILES: Oc1ccc(\C=C\C(=O)NCC(OC(=O)\C=C\c2ccc(O)c(O)c2)C([O-])=O)cc1O

InChI Key: InChIKey=QLGLLTDZDDEEHF-FCXRPNKRSA-M

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50141232   
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)		BDBM50141232
PNG
(3-[3-((E)-3,4-Dihydroxy-phenyl)-acryloylamino]-2-[...)
Show SMILES Oc1ccc(\C=C\C(=O)NCC(OC(=O)\C=C\c2ccc(O)c(O)c2)C([O-])=O)cc1O
Show InChI InChI=1S/C21H19NO9/c23-14-5-1-12(9-16(14)25)3-7-19(27)22-11-18(21(29)30)31-20(28)8-4-13-2-6-15(24)17(26)10-13/h1-10,18,23-26H,11H2,(H,22,27)(H,29,30)/p-1/b7-3+,8-4+
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Article
PubMed
n/an/a 370n/an/an/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 14: 1447-54 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.027
BindingDB Entry DOI: 10.7270/Q2B858PN
More data for this
Ligand-Target Pair