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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50036498   
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)		BDBM50036498
PNG
(8,9-Dimethyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetra...)
Show SMILES CC1C(C)n2c3c(CN1CC=C(C)C)cccc3[nH]c2=S |(15.42,-7.34,;13.88,-7.36,;13.22,-5.99,;14.17,-4.77,;11.72,-5.63,;10.51,-6.59,;10.51,-8.15,;11.72,-9.11,;13.22,-8.76,;14.17,-9.99,;13.6,-11.42,;14.55,-12.63,;13.97,-14.06,;16.09,-12.41,;9.18,-8.92,;7.85,-8.15,;7.85,-6.59,;9.18,-5.82,;9.51,-4.32,;11.17,-4.2,;12.08,-2.94,)|
Show InChI InChI=1S/C17H23N3S/c1-11(2)8-9-19-10-14-6-5-7-15-16(14)20(17(21)18-15)13(4)12(19)3/h5-8,12-13H,9-10H2,1-4H3,(H,18,21)
PDB
MMDB

UniProtKB/TrEMBL

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.22E+3n/an/an/an/an/an/a



IBM Thomas J. Watson Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 replication by interfering with virus reverse transcriptase

J Med Chem 39: 2129-40 (1996)


Article DOI: 10.1021/jm950589q
BindingDB Entry DOI: 10.7270/Q2697471
More data for this
Ligand-Target Pair