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BDBM50193558 CHEMBL383894::[1-[2',5'-bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]-3-N-[3-N'-[valyl-alanylamino]propyl]thymine]-3'-spiro-5''-[4''-amino-1'',2''-oxathiole-2'',2''-dioxide]

SMILES: CC(C)[C@H](N)C(=O)N[C@@H](C)C(=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=XTEABIITOMXVCU-OWPSZTIGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50193558   
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)		BDBM50193558
PNG
(CHEMBL383894 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C)C(=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:40|
Show InChI InChI=1S/C35H64N6O10SSi2/c1-21(2)26(37)29(43)39-23(4)28(42)38-16-15-17-40-30(44)22(3)18-41(32(40)45)31-27(50-54(13,14)34(8,9)10)35(24(36)20-52(46,47)51-35)25(49-31)19-48-53(11,12)33(5,6)7/h18,20-21,23,25-27,31H,15-17,19,36-37H2,1-14H3,(H,38,42)(H,39,43)/t23-,25?,26-,27?,31?,35?/m0/s1
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Article
PubMed
n/an/a 5.40E+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