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BDBM50193554 CHEMBL438175::[1-[2',5'-bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]-3-N-[3-N'-[valyl-prolylamino]propyl]thymine]-3'-spiro-5''-[4''-amino-1'',2''-oxathiole-2'',2''-dioxide]

SMILES: CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=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=IZVJAYJRFNXPEW-XHMKHSGFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50193554   
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)		BDBM50193554
PNG
(CHEMBL438175 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=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/C37H66N6O10SSi2/c1-23(2)28(39)32(46)41-18-14-16-25(41)30(44)40-17-15-19-42-31(45)24(3)20-43(34(42)47)33-29(52-56(12,13)36(7,8)9)37(26(38)22-54(48,49)53-37)27(51-33)21-50-55(10,11)35(4,5)6/h20,22-23,25,27-29,33H,14-19,21,38-39H2,1-13H3,(H,40,44)/t25-,27?,28-,29?,33?,37?/m0/s1
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Article
PubMed
n/an/a 6.60E+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