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SMILES: CCc1cc(c(=O)[nH]c1C)C(OCc1c(Cl)cccc1Cl)(C#CC1CC1)C(F)(F)F

InChI Key: InChIKey=KYLQWURRWYFJTL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096657   
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)		BDBM50096657
PNG
(3-[3-Cyclopropyl-1-(2,6-dichloro-benzyloxy)-1-trif...)
Show SMILES CCc1cc(c(=O)[nH]c1C)C(OCc1c(Cl)cccc1Cl)(C#CC1CC1)C(F)(F)F
Show InChI InChI=1S/C22H20Cl2F3NO2/c1-3-15-11-17(20(29)28-13(15)2)21(22(25,26)27,10-9-14-7-8-14)30-12-16-18(23)5-4-6-19(16)24/h4-6,11,14H,3,7-8,12H2,1-2H3,(H,28,29)
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 41n/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