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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50073643'   
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)		BDBM50073643
PNG
((1R,3R,4S)-3,5-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-a...)
Show SMILES COC(=O)O[C@@]1(CC(OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C27H26O14/c1-38-26(37)41-27(25(35)36)12-20(39-22(32)8-4-14-2-6-16(28)18(30)10-14)24(34)21(13-27)40-23(33)9-5-15-3-7-17(29)19(31)11-15/h2-11,20-21,24,28-31,34H,12-13H2,1H3,(H,35,36)/b8-4+,9-5+/t20-,21?,24-,27+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 800n/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