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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50085428'   
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)		BDBM50085428
PNG
((3S,3aS,4aS,5S,8R,8aS,9aR)-8-((E)-2,4-Dimethyl-oct...)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)C[C@H]3[C@H](C)CO[C@]3(O)C[C@H]12
Show InChI InChI=1S/C25H40O6/c1-6-7-8-15(2)11-16(3)23(28)31-21-10-9-18(22(26)27)24(5)12-19-17(4)14-30-25(19,29)13-20(21)24/h11,15,17-21,29H,6-10,12-14H2,1-5H3,(H,26,27)/b16-11+/t15?,17-,18-,19+,20-,21-,24-,25-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

Bioorg Med Chem Lett 10: 235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GB237J
More data for this
Ligand-Target Pair