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SMILES: Nc1nc2n(cnc2c(=O)[nH]1)C1CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C1)C#N

InChI Key: InChIKey=PSPFWPYGUQUWSN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50459812   
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)		BDBM50459812
PNG
(CHEMBL4214561)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C1)C#N
Show InChI InChI=1S/C12H17N6O12P3/c13-3-12(4-28-32(24,25)30-33(26,27)29-31(21,22)23)2-6(1-7(12)19)18-5-15-8-9(18)16-11(14)17-10(8)20/h5-7,19H,1-2,4H2,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
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PubMed
n/an/a 444n/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