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SMILES: CCCCC(O)(c1c(NC(=O)OCC)[nH]c2ccc(Br)cc12)C(F)(F)F

InChI Key: InChIKey=KKJDKKFSWXBKSG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50516934   
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)		BDBM50516934
PNG
(CHEMBL4468611)
Show SMILES CCCCC(O)(c1c(NC(=O)OCC)[nH]c2ccc(Br)cc12)C(F)(F)F
Show InChI InChI=1S/C17H20BrF3N2O3/c1-3-5-8-16(25,17(19,20)21)13-11-9-10(18)6-7-12(11)22-14(13)23-15(24)26-4-2/h6-7,9,22,25H,3-5,8H2,1-2H3,(H,23,24)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.93E+3n/an/an/an/an/an/a



ISF College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of HIV1 3B Y181C mutant infected in human MT2 cells assessed as reduction in virus-induced cytopathogenicity after 3 days by BrightGlo luc...

Eur J Med Chem 180: 562-612 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.019
More data for this
Ligand-Target Pair