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SMILES: CCc1cc(c(=O)[nH]c1C)C(OCc1cc(OC)cc(OC)c1)(C#CC1CC1)C(F)(F)F

InChI Key: InChIKey=OJWOUYDSORQFOY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096659   
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)		BDBM50096659
PNG
(3-[3-Cyclopropyl-1-(3,5-dimethoxy-benzyloxy)-1-tri...)
Show SMILES CCc1cc(c(=O)[nH]c1C)C(OCc1cc(OC)cc(OC)c1)(C#CC1CC1)C(F)(F)F
Show InChI InChI=1S/C24H26F3NO4/c1-5-18-12-21(22(29)28-15(18)2)23(24(25,26)27,9-8-16-6-7-16)32-14-17-10-19(30-3)13-20(11-17)31-4/h10-13,16H,5-7,14H2,1-4H3,(H,28,29)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.84E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.

Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair