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BDBM50193552 CHEMBL379994::[1-[2',5'-bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]-3-N-[3-N'-[tyrosyl-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)Cc2ccc(O)cc2)c1=O

InChI Key: InChIKey=OVMBYIMIPNCVCL-PVXJNFHUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50193552   
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)		BDBM50193552
PNG
(CHEMBL379994 | [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)Cc2ccc(O)cc2)c1=O |c:21|
Show InChI InChI=1S/C41H66N6O11SSi2/c1-26-23-47(37-33(57-61(10,11)40(5,6)7)41(31(43)25-59(53,54)58-41)32(56-37)24-55-60(8,9)39(2,3)4)38(52)46(35(26)50)21-13-19-44-34(49)30-14-12-20-45(30)36(51)29(42)22-27-15-17-28(48)18-16-27/h15-18,23,25,29-30,32-33,37,48H,12-14,19-22,24,42-43H2,1-11H3,(H,44,49)/t29-,30-,32?,33?,37?,41?/m0/s1
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Article
PubMed
n/an/a 8.10E+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