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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein Tat' and Ligand = 'BDBM50407475'   
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
Protein Tat


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM50407475
PNG
(CHEMBL3137911)
Show SMILES [H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C(N)=O)C2=O
Show InChI InChI=1S/C20H29NO4/c1-18-7-6-13-10(12(18)3-4-14(18)22)5-8-20-16(25-20)15(23)11(17(21)24)9-19(13,20)2/h10-14,16,22H,3-9H2,1-2H3,(H2,21,24)/t10-,11?,12-,13-,14-,16+,18-,19+,20+/m0/s1
PDB
MMDB

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PubMed
n/an/a 1.43E+4n/an/an/an/an/an/a



Sterling Winthrop Pharmaecuticals Research Division

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay


J Med Chem 38: 3197-206 (1995)


BindingDB Entry DOI: 10.7270/Q27D2WBX
More data for this
Ligand-Target Pair