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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50085432'   
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)		BDBM50085432
PNG
((1S,4R,7S,8aR)-7-(2,2-Dihydroxy-1-methyl-ethyl)-4-...)
Show SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)C[C@@H](C(C)C(O)O)C(=O)C=C12 |t:30|
Show InChI InChI=1S/C25H38O7/c1-6-7-8-14(2)11-15(3)24(31)32-21-10-9-18(23(29)30)25(5)13-17(16(4)22(27)28)20(26)12-19(21)25/h11-12,14,16-18,21-22,27-28H,6-10,13H2,1-5H3,(H,29,30)/b15-11+/t14?,16?,17-,18+,21+,25+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 4.00E+4n/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