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BDBM50175611 6-{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}-hexanoic acid ethyl ester::CHEMBL3143795

SMILES: CCOC(=O)CCCCCn1c(=O)c(C)cn([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)c1=O

InChI Key: InChIKey=MCYWHNGDOZVYDQ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50175611   
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)		BDBM50175611
PNG
(6-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6...)
Show SMILES CCOC(=O)CCCCCn1c(=O)c(C)cn([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)c1=O |r,c:34|
Show InChI InChI=1S/C32H57N3O10SSi2/c1-13-41-25(36)17-15-14-16-18-34-27(37)22(2)19-35(29(34)38)28-26(44-48(11,12)31(6,7)8)32(23(33)21-46(39,40)45-32)24(43-28)20-42-47(9,10)30(3,4)5/h19,21,24,26,28H,13-18,20,33H2,1-12H3
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PC cid
PC sid
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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