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SMILES: Cc1cn(C2CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C2)C#C)c(=O)[nH]c1=O

InChI Key: InChIKey=GJKLXHJSNGZDEQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50459813   
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


(Human immunodeficiency virus 1)		BDBM50459813
PNG
(CHEMBL4205384)
Show SMILES Cc1cn(C2CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C2)C#C)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H19N2O13P3/c1-3-13(7-26-30(22,23)28-31(24,25)27-29(19,20)21)5-9(4-10(13)16)15-6-8(2)11(17)14-12(15)18/h1,6,9-10,16H,4-5,7H2,2H3,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)
PDB
MMDB

UniProtKB/TrEMBL

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 114n/an/an/an/an/an/a



Idenix an MSD Company

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of t...

J Med Chem 61: 9218-9228 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00141
BindingDB Entry DOI: 10.7270/Q2NC63TK
More data for this
Ligand-Target Pair