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SMILES: CCOC(C#CC1CC1)(c1cc(CC)c(C)[nH]c1=O)C(F)(F)F

InChI Key: InChIKey=GFCFCFQXNXWQIZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096663   
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)		BDBM50096663
PNG
(3-(3-Cyclopropyl-1-ethoxy-1-trifluoromethyl-prop-2...)
Show SMILES CCOC(C#CC1CC1)(c1cc(CC)c(C)[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C17H20F3NO2/c1-4-13-10-14(15(22)21-11(13)3)16(23-5-2,17(18,19)20)9-8-12-6-7-12/h10,12H,4-7H2,1-3H3,(H,21,22)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 183n/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