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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase/RNaseH' and Ligand = 'BDBM50096669'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50096669
PNG
(3-[3-Cyclopropyl-1-(2-fluoro-6-methoxy-benzyloxy)-...)
Show SMILES CCc1cc(c(=O)[nH]c1C)C(OCc1c(F)cccc1OC)(C#CC1CC1)C(F)(F)F
Show InChI InChI=1S/C23H23F4NO3/c1-4-16-12-18(21(29)28-14(16)2)22(23(25,26)27,11-10-15-8-9-15)31-13-17-19(24)6-5-7-20(17)30-3/h5-7,12,15H,4,8-9,13H2,1-3H3,(H,28,29)
PDB
MMDB

UniProtKB/TrEMBL

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.95E+3n/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