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BDBM50193551 CHEMBL405279::[1-[2',5'-bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]-3-N-[3-N'-[aspartyl-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)CC(O)=O)c1=O

InChI Key: InChIKey=DATZKHAUWGMQOK-LZNDDTEGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50193551   
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)		BDBM50193551
PNG
(CHEMBL405279 | [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)CC(O)=O)c1=O |c:21|
Show InChI InChI=1S/C36H62N6O12SSi2/c1-22-19-42(33(48)41(30(22)46)17-13-15-39-29(45)24-14-12-16-40(24)31(47)23(37)18-27(43)44)32-28(53-57(10,11)35(5,6)7)36(25(38)21-55(49,50)54-36)26(52-32)20-51-56(8,9)34(2,3)4/h19,21,23-24,26,28,32H,12-18,20,37-38H2,1-11H3,(H,39,45)(H,43,44)/t23-,24-,26?,28?,32?,36?/m0/s1
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Article
PubMed
n/an/a 7.20E+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