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BDBM50193559 CHEMBL214795::[1-[2',5'-bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]-3-N-[3-N'-[(2S,3R,4S)-3,4-dihydroxyprolylamino]propyl]thymine]-3'-spiro-5''-[4''-amino-1'',2''-oxathiole-2'',2''-dioxide]

SMILES: CC(C)[C@H](N)C(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O

InChI Key: InChIKey=PARQULGCFLJKEV-UEBOAGPYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50193559   
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)		BDBM50193559
PNG
(CHEMBL214795 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES CC(C)[C@H](N)C(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:45|
Show InChI InChI=1S/C37H66N6O12SSi2/c1-21(2)26(39)32(48)42-18-23(44)28(45)27(42)30(46)40-15-14-16-41-31(47)22(3)17-43(34(41)49)33-29(54-58(12,13)36(7,8)9)37(24(38)20-56(50,51)55-37)25(53-33)19-52-57(10,11)35(4,5)6/h17,20-21,23,25-29,33,44-45H,14-16,18-19,38-39H2,1-13H3,(H,40,46)/t23-,25?,26-,27-,28-,29?,33?,37?/m0/s1
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Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase

J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
BindingDB Entry DOI: 10.7270/Q2M32VDQ
More data for this
Ligand-Target Pair