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BDBM50381284 CHEMBL2018876

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-c1cc2ccc(-[#8])cc2o1

InChI Key: InChIKey=ZTGHWUWBQNCCOH-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50381284   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50381284
PNG
(CHEMBL2018876)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-c1cc2ccc(-[#8])cc2o1
Show InChI InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A1 catalytic domain (535 to 860) expressed in Escherichia coli BL21 using [3H]-cAMP/[3H]-cGMP after 15 mins by liquid scintil...


Bioorg Med Chem Lett 22: 3261-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.026
BindingDB Entry DOI: 10.7270/Q2X63NZM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50381284
PNG
(CHEMBL2018876)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-c1cc2ccc(-[#8])cc2o1
Show InChI InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3
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n/an/a 2.27E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of human aromatase in term placenta microsome assessed as radioactivity


Eur J Med Chem 90: 379-93 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.047
BindingDB Entry DOI: 10.7270/Q2GF0W5F
More data for this
Ligand-Target Pair
Enoyl-ACP reductase


(Staphylococcus aureus)
BDBM50381284
PNG
(CHEMBL2018876)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-c1cc2ccc(-[#8])cc2o1
Show InChI InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3
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n/an/a 8.38E+4n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Eur J Med Chem 90: 379-93 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.047
BindingDB Entry DOI: 10.7270/Q2GF0W5F
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50381284
PNG
(CHEMBL2018876)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-c1cc2ccc(-[#8])cc2o1
Show InChI InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3
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n/an/a 1.81E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B2 catalytic domain and UCR2 (92 to 521) expressed in Escherichia coli BL21 using [3H]-cAMP/[3H]-cGMP after 15 mins by liquid...


Bioorg Med Chem Lett 22: 3261-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.026
BindingDB Entry DOI: 10.7270/Q2X63NZM
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50381284
PNG
(CHEMBL2018876)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-c1cc2ccc(-[#8])cc2o1
Show InChI InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE9A2 catalytic domain (181 to 506) expressed in Escherichia coli BL21 using [3H]-cAMP/[3H]-cGMP after 15 mins by liquid scintil...


Bioorg Med Chem Lett 22: 3261-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.026
BindingDB Entry DOI: 10.7270/Q2X63NZM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50381284
PNG
(CHEMBL2018876)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-c1cc2ccc(-[#8])cc2o1
Show InChI InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3
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n/an/a 2.60E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 catalytic domain (86 to 413) expressed in Escherichia coli BL21 using [3H]-cAMP/[3H]-cGMP after 15 mins by liquid scintill...


Bioorg Med Chem Lett 22: 3261-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.026
BindingDB Entry DOI: 10.7270/Q2X63NZM
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50381284
PNG
(CHEMBL2018876)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-c1cc2ccc(-[#8])cc2o1
Show InChI InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3
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n/an/a 3.20E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair