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BDBM50407490 CHEMBL3137910

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(=O)OC)C2=O

InChI Key: InChIKey=HOAXCALWNZDPTE-NHNXKMDDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50407490   
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...)		BDBM50407490
PNG
(CHEMBL3137910)
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(=O)OC)C2=O
Show InChI InChI=1S/C21H30O5/c1-19-8-7-14-11(13(19)4-5-15(19)22)6-9-21-17(26-21)16(23)12(18(24)25-3)10-20(14,21)2/h11-15,17,22H,4-10H2,1-3H3/t11-,12?,13-,14-,15-,17+,19-,20+,21+/m0/s1
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PC cid
PC sid
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Similars
PubMed
n/an/a 3.60E+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