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BDBM50175625 2-(3-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-5-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl}-propyl)-isoindole-1,3-dione::CHEMBL3143800

SMILES: Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCN2C(=O)c3ccccc3C2=O)c1=O

InChI Key: InChIKey=GYLAXCKXONEZKG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50175625   
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 reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50175625
PNG
(2-(3-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCN2C(=O)c3ccccc3C2=O)c1=O |r,c:21|
Show InChI InChI=1S/C35H52N4O10SSi2/c1-22-19-39(32(43)38(28(22)40)18-14-17-37-29(41)23-15-12-13-16-24(23)30(37)42)31-27(48-52(10,11)34(5,6)7)35(25(36)21-50(44,45)49-35)26(47-31)20-46-51(8,9)33(2,3)4/h12-13,15-16,19,21,26-27,31H,14,17-18,20,36H2,1-11H3
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Similars
Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase

J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair