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BDBM50193557 CHEMBL212339::[1-[2',5'-bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]-3-N-[3-N'-[valyl-prolyl-valylamino]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)N[C@@H](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=FBJCXKMCCGLPAC-RYYVKMMHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50193557   
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)		BDBM50193557
PNG
(CHEMBL212339 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](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:50|
Show InChI InChI=1S/C42H75N7O11SSi2/c1-25(2)31(44)37(53)47-20-16-18-28(47)34(50)46-32(26(3)4)35(51)45-19-17-21-48-36(52)27(5)22-49(39(48)54)38-33(59-63(14,15)41(9,10)11)42(29(43)24-61(55,56)60-42)30(58-38)23-57-62(12,13)40(6,7)8/h22,24-26,28,30-33,38H,16-21,23,43-44H2,1-15H3,(H,45,51)(H,46,50)/t28-,30?,31-,32-,33?,38?,42?/m0/s1
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Article
PubMed
n/an/a 4.40E+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