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BDBM50030566 6-Bromo-7,7'-dimethoxy-[4,4']bi[benzo[1,3]dioxolyl]-5,5'-dicarboxylic acid dimethyl ester::CHEMBL317773

SMILES: COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)c(Br)c1C(=O)OC

InChI Key: InChIKey=YDXKUCOMTNYVTF-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50030566   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50030566
PNG
(6-Bromo-7,7'-dimethoxy-[4,4']bi[benzo[1,3]dioxolyl...)
Show SMILES COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)c(Br)c1C(=O)OC |(7.96,-9.5,;6.42,-9.5,;5.65,-8.17,;6.42,-6.84,;4.11,-8.17,;4.11,-9.71,;2.78,-10.48,;2.78,-12.02,;1.45,-12.79,;1.45,-9.71,;-.02,-10.2,;-.93,-8.94,;-.02,-7.7,;1.45,-8.17,;2.78,-7.4,;2.78,-5.86,;1.45,-5.09,;-.02,-5.58,;-.93,-4.32,;-.02,-3.06,;1.45,-3.55,;2.78,-2.78,;2.78,-1.24,;4.11,-.47,;4.11,-3.55,;5.44,-2.78,;4.11,-5.09,;5.41,-5.35,;5.47,-6.63,;6.87,-4.77,;8.03,-5.65,)|
Show InChI InChI=1S/C20H17BrO10/c1-24-9-5-8(19(22)26-3)10(15-14(9)28-6-29-15)11-12(20(23)27-4)13(21)17(25-2)18-16(11)30-7-31-18/h5H,6-7H2,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 56n/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 DNA dependent DNA polymerase associated activity by using 0.05 units of radiolabeled template poly(rA)-oli...


J Med Chem 38: 3003-8 (1995)


BindingDB Entry DOI: 10.7270/Q23J3C0R
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50030566
PNG
(6-Bromo-7,7'-dimethoxy-[4,4']bi[benzo[1,3]dioxolyl...)
Show SMILES COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)c(Br)c1C(=O)OC |(7.96,-9.5,;6.42,-9.5,;5.65,-8.17,;6.42,-6.84,;4.11,-8.17,;4.11,-9.71,;2.78,-10.48,;2.78,-12.02,;1.45,-12.79,;1.45,-9.71,;-.02,-10.2,;-.93,-8.94,;-.02,-7.7,;1.45,-8.17,;2.78,-7.4,;2.78,-5.86,;1.45,-5.09,;-.02,-5.58,;-.93,-4.32,;-.02,-3.06,;1.45,-3.55,;2.78,-2.78,;2.78,-1.24,;4.11,-.47,;4.11,-3.55,;5.44,-2.78,;4.11,-5.09,;5.41,-5.35,;5.47,-6.63,;6.87,-4.77,;8.03,-5.65,)|
Show InChI InChI=1S/C20H17BrO10/c1-24-9-5-8(19(22)26-3)10(15-14(9)28-6-29-15)11-12(20(23)27-4)13(21)17(25-2)18-16(11)30-7-31-18/h5H,6-7H2,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.20E+3n/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 1*10e-3 units of radiolabeled template poly(rC)-...


J Med Chem 38: 3003-8 (1995)


BindingDB Entry DOI: 10.7270/Q23J3C0R
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50030566
PNG
(6-Bromo-7,7'-dimethoxy-[4,4']bi[benzo[1,3]dioxolyl...)
Show SMILES COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)c(Br)c1C(=O)OC |(7.96,-9.5,;6.42,-9.5,;5.65,-8.17,;6.42,-6.84,;4.11,-8.17,;4.11,-9.71,;2.78,-10.48,;2.78,-12.02,;1.45,-12.79,;1.45,-9.71,;-.02,-10.2,;-.93,-8.94,;-.02,-7.7,;1.45,-8.17,;2.78,-7.4,;2.78,-5.86,;1.45,-5.09,;-.02,-5.58,;-.93,-4.32,;-.02,-3.06,;1.45,-3.55,;2.78,-2.78,;2.78,-1.24,;4.11,-.47,;4.11,-3.55,;5.44,-2.78,;4.11,-5.09,;5.41,-5.35,;5.47,-6.63,;6.87,-4.77,;8.03,-5.65,)|
Show InChI InChI=1S/C20H17BrO10/c1-24-9-5-8(19(22)26-3)10(15-14(9)28-6-29-15)11-12(20(23)27-4)13(21)17(25-2)18-16(11)30-7-31-18/h5H,6-7H2,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.50E+3n/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 1*10e-3 units of radiolabeled template poly(rA)-...


J Med Chem 38: 3003-8 (1995)


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