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SMILES: CN(C)CCCOc1ccc(NC(=O)CSc2nnnn2-c2c(C)cc(C)cc2C)c(Cl)c1

InChI Key: InChIKey=CNMYEWZVDOUQOP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50183192   
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)		BDBM50183192
PNG
(CHEMBL377820 | N-(2-chloro-4-(3-(dimethylamino)pro...)
Show SMILES CN(C)CCCOc1ccc(NC(=O)CSc2nnnn2-c2c(C)cc(C)cc2C)c(Cl)c1 |(29.31,-36.4,;29.31,-34.86,;30.65,-34.09,;27.98,-34.09,;27.98,-32.55,;29.31,-31.78,;29.32,-30.24,;27.98,-29.47,;26.64,-30.24,;25.31,-29.47,;25.32,-27.93,;23.99,-27.15,;22.65,-27.92,;22.65,-29.46,;21.32,-27.15,;19.99,-27.92,;18.65,-27.14,;18.5,-25.61,;17,-25.29,;16.22,-26.62,;17.25,-27.77,;16.92,-29.28,;15.46,-29.74,;14.32,-28.71,;15.12,-31.25,;16.26,-32.29,;15.93,-33.8,;17.73,-31.83,;18.06,-30.31,;19.53,-29.84,;26.65,-27.16,;26.65,-25.62,;27.98,-27.92,)|
Show InChI InChI=1S/C23H29ClN6O2S/c1-15-11-16(2)22(17(3)12-15)30-23(26-27-28-30)33-14-21(31)25-20-8-7-18(13-19(20)24)32-10-6-9-29(4)5/h7-8,11-13H,6,9-10,14H2,1-5H3,(H,25,31)
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Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



MRL Rome

Curated by ChEMBL


Assay Description
Inhibition of HIV1 wild type Reverse Transcriptase

Bioorg Med Chem Lett 16: 2748-52 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.024
BindingDB Entry DOI: 10.7270/Q2D79B1R
More data for this
Ligand-Target Pair