BindingDB logo
myBDB logout

BDBM50175622 (3-{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}-propyl)-trimethyl-ammonium; iodide::CHEMBL3143763

SMILES: [I-].Cc1cn([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)c(=O)n(CCC[N+](C)(C)C)c1=O

InChI Key: InChIKey=NHTKUVMHNABHMZ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50175622   
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)		BDBM50175622
PNG
((3-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-...)
Show SMILES [I-].Cc1cn([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)c(=O)n(CCC[N+](C)(C)C)c1=O |r,c:21|
Show InChI InChI=1S/C30H57N4O8SSi2/c1-21-18-33(27(36)32(25(21)35)16-15-17-34(8,9)10)26-24(41-45(13,14)29(5,6)7)30(22(31)20-43(37,38)42-30)23(40-26)19-39-44(11,12)28(2,3)4/h18,20,23-24,26H,15-17,19,31H2,1-14H3/q+1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.10E+4n/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