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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50004960   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50030567
PNG
(6,6'-Dibromo-7,7'-dimethoxy-[4,4']bi[benzo[1,3]dio...)
Show SMILES COC(=O)c1c(Br)c(OC)c2OCOc2c1-c1c2OCOc2c(OC)c(Br)c1C(=O)OC |(8.03,-5.65,;6.87,-4.77,;5.41,-5.35,;5.47,-6.63,;4.11,-5.09,;4.11,-3.55,;5.44,-2.78,;2.78,-2.78,;2.78,-1.24,;4.11,-.47,;1.45,-3.55,;-.02,-3.06,;-.93,-4.32,;-.02,-5.58,;1.45,-5.09,;2.78,-5.86,;2.78,-7.4,;1.45,-8.17,;-.02,-7.7,;-.93,-8.94,;-.02,-10.2,;1.45,-9.71,;2.78,-10.48,;2.78,-12.02,;1.45,-12.79,;4.11,-9.71,;5.46,-10.48,;4.11,-8.17,;5.65,-8.17,;6.42,-6.84,;6.42,-9.5,;7.96,-9.5,)|
Show InChI InChI=1S/C20H16Br2O10/c1-25-15-11(21)9(19(23)27-3)7(13-17(15)31-5-29-13)8-10(20(24)28-4)12(22)16(26-2)18-14(8)30-6-32-18/h5-6H2,1-4H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill 27599

Curated by ChEMBL


Assay Description
IC50 value of the compound was measured as RNA dependent DNA polymerase associated activity by using 10e-3 units of radiolabeled template poly(rC)-ol...

J Med Chem 38: 3003-8 (1995)


BindingDB Entry DOI: 10.7270/Q23J3C0R
More data for this
Ligand-Target Pair