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BDBM50193560 CHEMBL380211::[1-[2',5'-bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]-3-N-[3-N'-[lysyl-prolylamino]propyl]thymine]-3'-spiro-5''-[4''-amino-1'',2''-oxathiole-2'',2''-dioxide]

SMILES: Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCCN)c1=O

InChI Key: InChIKey=IQESYRVCTDMMMP-GVARSWIZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50193560   
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)		BDBM50193560
PNG
(CHEMBL380211 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCCN)c1=O |c:21|
Show InChI InChI=1S/C38H69N7O10SSi2/c1-25-22-45(35(49)44(32(25)47)21-15-19-42-31(46)27-17-14-20-43(27)33(48)26(40)16-12-13-18-39)34-30(54-58(10,11)37(5,6)7)38(28(41)24-56(50,51)55-38)29(53-34)23-52-57(8,9)36(2,3)4/h22,24,26-27,29-30,34H,12-21,23,39-41H2,1-11H3,(H,42,46)/t26-,27-,29?,30?,34?,38?/m0/s1
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Similars
Article
PubMed
n/an/a 4.70E+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