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BDBM50175621 CHEMBL3143760::{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-5-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl}-acetic acid methyl ester

SMILES: COC(=O)Cn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O

InChI Key: InChIKey=MUAVRURLKLXTBM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50175621   
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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50175621
PNG
(CHEMBL3143760 | {3-[4-Amino-9-(tert-butyl-dimethyl...)
Show SMILES COC(=O)Cn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:29|
Show InChI InChI=1S/C27H47N3O10SSi2/c1-17-13-30(24(33)29(22(17)32)14-20(31)36-8)23-21(39-43(11,12)26(5,6)7)27(18(28)16-41(34,35)40-27)19(38-23)15-37-42(9,10)25(2,3)4/h13,16,19,21,23H,14-15,28H2,1-12H3
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase

J Med Chem 48: 6653-60 (2005)


Article DOI: 10.1021/jm050437n
BindingDB Entry DOI: 10.7270/Q2VT1RP3
More data for this
Ligand-Target Pair