BindingDB logo
myBDB logout

null

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

InChI Key: InChIKey=UBFFGLYHUXZQTE-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096661   
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)		BDBM50096661
PNG
(3-(3-Cyclopropyl-1-propoxy-1-trifluoromethyl-prop-...)
Show SMILES CCCOC(C#CC1CC1)(c1cc(CC)c(C)[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C18H22F3NO2/c1-4-10-24-17(18(19,20)21,9-8-13-6-7-13)15-11-14(5-2)12(3)22-16(15)23/h11,13H,4-7,10H2,1-3H3,(H,22,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 105n/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