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BDBM50073642 (Z)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 4-[(Z)-3-(3,4-dihydroxy-phenyl)-acryloyloxy]-cyclohexyl ester::CHEMBL146489

SMILES: Oc1ccc(\C=C/C(=O)OC2CCC(CC2)OC(=O)\C=C/c2ccc(O)c(O)c2)cc1O

InChI Key: InChIKey=VOAUUKZREABUKK-LPPGRIHKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073642   
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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)		BDBM50073642
PNG
((Z)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 4-[(Z)-3...)
Show SMILES Oc1ccc(\C=C/C(=O)OC2CCC(CC2)OC(=O)\C=C/c2ccc(O)c(O)c2)cc1O |(2.82,-12.69,;2.78,-11.15,;4.09,-10.34,;4.04,-8.83,;2.71,-8.06,;2.69,-6.54,;4.02,-5.76,;5.37,-6.52,;5.37,-8.06,;6.7,-5.75,;8.24,-5.69,;9.04,-7,;10.58,-6.95,;11.32,-5.61,;10.51,-4.3,;8.97,-4.34,;12.86,-5.56,;14.19,-4.79,;14.19,-3.25,;15.52,-5.56,;16.85,-4.79,;16.85,-3.25,;18.2,-2.48,;18.2,-.94,;16.85,-.17,;16.85,1.37,;15.52,-.96,;14.19,-.17,;15.52,-2.48,;1.38,-8.87,;1.42,-10.41,;.1,-11.21,)|
Show InChI InChI=1S/C24H24O8/c25-19-9-1-15(13-21(19)27)3-11-23(29)31-17-5-7-18(8-6-17)32-24(30)12-4-16-2-10-20(26)22(28)14-16/h1-4,9-14,17-18,25-28H,5-8H2/b11-3-,12-4-
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.01E+3n/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