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SMILES: CCc1cc(c(=O)[nH]c1C)C(OCC1CC1)(C#CC1CC1)C(F)(F)F

InChI Key: InChIKey=DWVSHPRSOSSELY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096672   
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)		BDBM50096672
PNG
(3-(3-Cyclopropyl-1-cyclopropylmethoxy-1-trifluorom...)
Show SMILES CCc1cc(c(=O)[nH]c1C)C(OCC1CC1)(C#CC1CC1)C(F)(F)F
Show InChI InChI=1S/C19H22F3NO2/c1-3-15-10-16(17(24)23-12(15)2)18(19(20,21)22,9-8-13-4-5-13)25-11-14-6-7-14/h10,13-14H,3-7,11H2,1-2H3,(H,23,24)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 188n/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