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BDBM50193563 CHEMBL378037::[1-[2',5'-bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]-3-N-[3-N'-[valyl-leucylamino]propyl]thymine]-3'-spiro-5''-[4''-amino-1'',2''-oxathiole-2'',2''-dioxide]

SMILES: CC(C)C[C@H](NC(=O)[C@@H](N)C(C)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=WIMUMAMRXCBMIU-RNGLVZSHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50193563   
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)		BDBM50193563
PNG
(CHEMBL378037 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)C(C)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:43|
Show InChI InChI=1S/C38H70N6O10SSi2/c1-23(2)19-26(42-32(46)29(40)24(3)4)31(45)41-17-16-18-43-33(47)25(5)20-44(35(43)48)34-30(53-57(14,15)37(9,10)11)38(27(39)22-55(49,50)54-38)28(52-34)21-51-56(12,13)36(6,7)8/h20,22-24,26,28-30,34H,16-19,21,39-40H2,1-15H3,(H,41,45)(H,42,46)/t26-,28?,29-,30?,34?,38?/m0/s1
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Article
PubMed
n/an/a 4.60E+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