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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein Tat' and Ligand = 'BDBM50407478'   
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...)		BDBM50407478
PNG
(CHEMBL3138234)
Show SMILES [H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC[C@H](OC(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C#N)C2=O
Show InChI InChI=1S/C22H29NO4/c1-12(24)26-17-5-4-15-14-6-9-22-19(27-22)18(25)13(11-23)10-21(22,3)16(14)7-8-20(15,17)2/h13-17,19H,4-10H2,1-3H3/t13?,14-,15-,16-,17-,19+,20-,21+,22+/m0/s1
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PubMed
n/an/a 2.45E+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