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BDBM50407474 CHEMBL3137917

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)=O)C2=O

InChI Key: InChIKey=GFDVPRRZNSAANS-JJERAUQSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50407474   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)		BDBM50407474
PNG
(CHEMBL3137917)
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)=O)C2=O
Show InChI InChI=1S/C22H31NO5/c1-11(24)27-16-5-4-14-12-6-9-22-18(28-22)17(25)13(19(23)26)10-21(22,3)15(12)7-8-20(14,16)2/h12-16,18H,4-10H2,1-3H3,(H2,23,26)/t12-,13?,14-,15-,16-,18+,20-,21+,22+/m0/s1
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PC cid
PC sid
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PubMed
n/an/a 2.60E+3n/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