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Compile Data Set for Download or QSAR

Found 13124 hits with Last Name = 'no' and Initial = 'z'   
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
S-methylmethionine--homocysteine S-methyltransferase BHMT2


(Homo sapiens (Human))
BDBM50395382
PNG
(CHEMBL2164724)
Show SMILES CC(CCSCC[C@H](N)C(O)=O)CCC(N)C(O)=O |r|
Show InChI InChI=1S/C12H24N2O4S/c1-8(2-3-9(13)11(15)16)4-6-19-7-5-10(14)12(17)18/h8-10H,2-7,13-14H2,1H3,(H,15,16)(H,17,18)/t8?,9?,10-/m0/s1
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Article
PubMed
77n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human BHMT2 expressed in Escherichia coli BL31(DE3) by Dixon plot method in presence of D,L-homocysteine


J Med Chem 55: 6822-31 (2012)


Article DOI: 10.1021/jm300571h
BindingDB Entry DOI: 10.7270/Q2BV7HSH
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132084
PNG
(US8841453, 15)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12
Show InChI InChI=1S/C38H51N5O3/c1-28(44)39-25-22-29-27-42-34-21-20-30(26-33(29)34)46-38(45)41-24-15-9-7-5-3-2-4-6-8-14-23-40-37-31-16-10-12-18-35(31)43-36-19-13-11-17-32(36)37/h10,12,16,18,20-21,26-27,42H,2-9,11,13-15,17,19,22-25H2,1H3,(H,39,44)(H,40,43)(H,41,45)
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n/an/a 0.240n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132071
PNG
(US8841453, 1)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12
Show InChI InChI=1S/C33H41N5O3/c1-23(39)34-20-17-24-22-37-29-16-15-25(21-28(24)29)41-33(40)36-19-10-4-2-3-9-18-35-32-26-11-5-7-13-30(26)38-31-14-8-6-12-27(31)32/h5,7,11,13,15-16,21-22,37H,2-4,6,8-10,12,14,17-20H2,1H3,(H,34,39)(H,35,38)(H,36,40)
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n/an/a 0.25n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132080
PNG
(US8841453, 11)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12
Show InChI InChI=1S/C34H43N5O3/c1-24(40)35-21-18-25-23-38-30-17-16-26(22-29(25)30)42-34(41)37-20-11-5-3-2-4-10-19-36-33-27-12-6-8-14-31(27)39-32-15-9-7-13-28(32)33/h6,8,12,14,16-17,22-23,38H,2-5,7,9-11,13,15,18-21H2,1H3,(H,35,40)(H,36,39)(H,37,41)
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n/an/a 0.25n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132083
PNG
(US8841453, 14)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12
Show InChI InChI=1S/C36H47N5O3/c1-26(42)37-23-20-27-25-40-32-19-18-28(24-31(27)32)44-36(43)39-22-13-7-5-3-2-4-6-12-21-38-35-29-14-8-10-16-33(29)41-34-17-11-9-15-30(34)35/h8,10,14,16,18-19,24-25,40H,2-7,9,11-13,15,17,20-23H2,1H3,(H,37,42)(H,38,41)(H,39,43)
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n/an/a 0.280n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132074
PNG
(US8841453, 4)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12
Show InChI InChI=1S/C33H40ClN5O3/c1-22(40)35-18-15-23-21-38-29-14-12-25(20-28(23)29)42-33(41)37-17-8-4-2-3-7-16-36-32-26-9-5-6-10-30(26)39-31-19-24(34)11-13-27(31)32/h11-14,19-21,38H,2-10,15-18H2,1H3,(H,35,40)(H,36,39)(H,37,41)
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n/an/a 0.380n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132088
PNG
(US8841453, 17)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4CCCCc4nc4ccc(Cl)cc34)cc12
Show InChI InChI=1S/C38H50ClN5O3/c1-27(45)40-23-20-28-26-43-34-19-17-30(25-32(28)34)47-38(46)42-22-13-9-7-5-3-2-4-6-8-12-21-41-37-31-14-10-11-15-35(31)44-36-18-16-29(39)24-33(36)37/h16-19,24-26,43H,2-15,20-23H2,1H3,(H,40,45)(H,41,44)(H,42,46)
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n/an/a 0.780n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132081
PNG
(US8841453, 12)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4CCCCc4nc4ccc(Cl)cc34)cc12
Show InChI InChI=1S/C33H40ClN5O3/c1-22(40)35-18-15-23-21-38-29-14-12-25(20-27(23)29)42-33(41)37-17-8-4-2-3-7-16-36-32-26-9-5-6-10-30(26)39-31-13-11-24(34)19-28(31)32/h11-14,19-21,38H,2-10,15-18H2,1H3,(H,35,40)(H,36,39)(H,37,41)
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n/an/a 0.880n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132083
PNG
(US8841453, 14)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12
Show InChI InChI=1S/C36H47N5O3/c1-26(42)37-23-20-27-25-40-32-19-18-28(24-31(27)32)44-36(43)39-22-13-7-5-3-2-4-6-12-21-38-35-29-14-8-10-16-33(29)41-34-17-11-9-15-30(34)35/h8,10,14,16,18-19,24-25,40H,2-7,9,11-13,15,17,20-23H2,1H3,(H,37,42)(H,38,41)(H,39,43)
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n/an/a 1.18n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132086
PNG
(US8841453, 18)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12
Show InChI InChI=1S/C36H46ClN5O3/c1-25(43)38-21-18-26-24-41-32-17-15-28(23-31(26)32)45-36(44)40-20-11-7-5-3-2-4-6-10-19-39-35-29-12-8-9-13-33(29)42-34-22-27(37)14-16-30(34)35/h14-17,22-24,41H,2-13,18-21H2,1H3,(H,38,43)(H,39,42)(H,40,44)
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n/an/a 1.20n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132087
PNG
(US8841453, 19)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12
Show InChI InChI=1S/C38H50ClN5O3/c1-27(45)40-23-20-28-26-43-34-19-17-30(25-33(28)34)47-38(46)42-22-13-9-7-5-3-2-4-6-8-12-21-41-37-31-14-10-11-15-35(31)44-36-24-29(39)16-18-32(36)37/h16-19,24-26,43H,2-15,20-23H2,1H3,(H,40,45)(H,41,44)(H,42,46)
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n/an/a 1.31n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132085
PNG
(US8841453, 16)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4CCCCc4nc4ccc(Cl)cc34)cc12
Show InChI InChI=1S/C36H46ClN5O3/c1-25(43)38-21-18-26-24-41-32-17-15-28(23-30(26)32)45-36(44)40-20-11-7-5-3-2-4-6-10-19-39-35-29-12-8-9-13-33(29)42-34-16-14-27(37)22-31(34)35/h14-17,22-24,41H,2-13,18-21H2,1H3,(H,38,43)(H,39,42)(H,40,44)
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n/an/a 1.43n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132085
PNG
(US8841453, 16)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4CCCCc4nc4ccc(Cl)cc34)cc12
Show InChI InChI=1S/C36H46ClN5O3/c1-25(43)38-21-18-26-24-41-32-17-15-28(23-30(26)32)45-36(44)40-20-11-7-5-3-2-4-6-10-19-39-35-29-12-8-9-13-33(29)42-34-16-14-27(37)22-31(34)35/h14-17,22-24,41H,2-13,18-21H2,1H3,(H,38,43)(H,39,42)(H,40,44)
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n/an/a 1.64n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132073
PNG
(US8841453, 3)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)cc12
Show InChI InChI=1S/C32H39N5O3/c1-22(38)33-19-16-23-21-36-28-15-14-24(20-27(23)28)40-32(39)35-18-9-3-2-8-17-34-31-25-10-4-6-12-29(25)37-30-13-7-5-11-26(30)31/h4,6,10,12,14-15,20-21,36H,2-3,5,7-9,11,13,16-19H2,1H3,(H,33,38)(H,34,37)(H,35,39)
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n/an/a 2.04n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132079
PNG
(US8841453, 10)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCNc3c4CCCCc4nc4ccccc34)cc12
Show InChI InChI=1S/C31H37N5O3/c1-21(37)32-18-15-22-20-35-27-14-13-23(19-26(22)27)39-31(38)34-17-8-2-7-16-33-30-24-9-3-5-11-28(24)36-29-12-6-4-10-25(29)30/h3,5,9,11,13-14,19-20,35H,2,4,6-8,10,12,15-18H2,1H3,(H,32,37)(H,33,36)(H,34,38)
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n/an/a 2.07n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132076
PNG
(US8841453, 7)
Show SMILES CC(=O)O[C@@]12CCN([C@@H]1N(C(C)=O)c1ccc(OC(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)cc21)C(C)=O |r|
Show InChI InChI=1/C36H43N5O6/c1-23(42)40-21-18-36(47-25(3)44)29-22-26(16-17-32(29)41(24(2)43)34(36)40)46-35(45)38-20-11-5-4-10-19-37-33-27-12-6-8-14-30(27)39-31-15-9-7-13-28(31)33/h6,8,12,14,16-17,22,34H,4-5,7,9-11,13,15,18-21H2,1-3H3,(H,37,39)(H,38,45)/t34-,36-/s2
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n/an/a 3.15n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132084
PNG
(US8841453, 15)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12
Show InChI InChI=1S/C38H51N5O3/c1-28(44)39-25-22-29-27-42-34-21-20-30(26-33(29)34)46-38(45)41-24-15-9-7-5-3-2-4-6-8-14-23-40-37-31-16-10-12-18-35(31)43-36-19-13-11-17-32(36)37/h10,12,16,18,20-21,26-27,42H,2-9,11,13-15,17,19,22-25H2,1H3,(H,39,44)(H,40,43)(H,41,45)
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n/an/a 3.80n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132072
PNG
(US8841453, 2)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCNc3c4CCCCc4nc4ccccc34)cc12
Show InChI InChI=1S/C28H31N5O3/c1-18(34)29-13-12-19-17-32-24-11-10-20(16-23(19)24)36-28(35)31-15-14-30-27-21-6-2-4-8-25(21)33-26-9-5-3-7-22(26)27/h2,4,6,8,10-11,16-17,32H,3,5,7,9,12-15H2,1H3,(H,29,34)(H,30,33)(H,31,35)
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n/an/a 4.28n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132080
PNG
(US8841453, 11)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12
Show InChI InChI=1S/C34H43N5O3/c1-24(40)35-21-18-25-23-38-30-17-16-26(22-29(25)30)42-34(41)37-20-11-5-3-2-4-10-19-36-33-27-12-6-8-14-31(27)39-32-15-9-7-13-28(32)33/h6,8,12,14,16-17,22-23,38H,2-5,7,9-11,13,15,18-21H2,1H3,(H,35,40)(H,36,39)(H,37,41)
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n/an/a 4.61n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310205
PNG
(7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)-c1ccnc2cc(nn12)-c1cccc(I)c1
Show InChI InChI=1S/C23H18F2IN3O2/c24-23(25)31-20-7-6-16(11-21(20)30-13-14-4-5-14)19-8-9-27-22-12-18(28-29(19)22)15-2-1-3-17(26)10-15/h1-3,6-12,14,23H,4-5,13H2
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n/an/a 6n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 922-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132088
PNG
(US8841453, 17)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4CCCCc4nc4ccc(Cl)cc34)cc12
Show InChI InChI=1S/C38H50ClN5O3/c1-27(45)40-23-20-28-26-43-34-19-17-30(25-32(28)34)47-38(46)42-22-13-9-7-5-3-2-4-6-8-12-21-41-37-31-14-10-11-15-35(31)44-36-18-16-29(39)24-33(36)37/h16-19,24-26,43H,2-15,20-23H2,1H3,(H,40,45)(H,41,44)(H,42,46)
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n/an/a 7n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132074
PNG
(US8841453, 4)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12
Show InChI InChI=1S/C33H40ClN5O3/c1-22(40)35-18-15-23-21-38-29-14-12-25(20-28(23)29)42-33(41)37-17-8-4-2-3-7-16-36-32-26-9-5-6-10-30(26)39-31-19-24(34)11-13-27(31)32/h11-14,19-21,38H,2-10,15-18H2,1H3,(H,35,40)(H,36,39)(H,37,41)
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n/an/a 7.70n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132086
PNG
(US8841453, 18)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12
Show InChI InChI=1S/C36H46ClN5O3/c1-25(43)38-21-18-26-24-41-32-17-15-28(23-31(26)32)45-36(44)40-20-11-7-5-3-2-4-6-10-19-39-35-29-12-8-9-13-33(29)42-34-22-27(37)14-16-30(34)35/h14-17,22-24,41H,2-13,18-21H2,1H3,(H,38,43)(H,39,42)(H,40,44)
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n/an/a 8.10n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132082
PNG
(US8841453, 13)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCNc3c4CCCCc4nc4ccc(Cl)cc34)cc12
Show InChI InChI=1S/C28H30ClN5O3/c1-17(35)30-11-10-18-16-33-24-9-7-20(15-22(18)24)37-28(36)32-13-12-31-27-21-4-2-3-5-25(21)34-26-8-6-19(29)14-23(26)27/h6-9,14-16,33H,2-5,10-13H2,1H3,(H,30,35)(H,31,34)(H,32,36)
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n/an/a 8.20n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310235
PNG
(3-[7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphen...)
Show SMILES OC(=O)c1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1
Show InChI InChI=1S/C24H19F2N3O4/c25-24(26)33-20-7-6-16(11-21(20)32-13-14-4-5-14)19-8-9-27-22-12-18(28-29(19)22)15-2-1-3-17(10-15)23(30)31/h1-3,6-12,14,24H,4-5,13H2,(H,30,31)
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n/an/a 9n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 922-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310214
PNG
(2-(3-Bromophenyl)-7-(3'-cyclopropylmethoxy-4'-difl...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)-c1ccnc2cc(nn12)-c1cccc(Br)c1
Show InChI InChI=1S/C23H18BrF2N3O2/c24-17-3-1-2-15(10-17)18-12-22-27-9-8-19(29(22)28-18)16-6-7-20(31-23(25)26)21(11-16)30-13-14-4-5-14/h1-3,6-12,14,23H,4-5,13H2
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n/an/a 13n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 922-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352310
PNG
(CHEMBL1822637)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@H]4CO)OC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
Show InChI InChI=1S/C27H34N8O3S/c1-17-12-23(32-31-17)29-25-22-6-5-11-35(22)33-26(30-25)39-21-9-7-18(8-10-21)28-24(37)15-34-14-20(13-19(34)16-36)38-27(2,3)4/h5-12,19-20,36H,13-16H2,1-4H3,(H,28,37)(H2,29,30,31,32,33)/t19-,20+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132078
PNG
(US8841453, 9)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCNc3c4CCCCc4nc4ccccc34)cc12
Show InChI InChI=1S/C30H35N5O3/c1-20(36)31-17-14-21-19-34-26-13-12-22(18-25(21)26)38-30(37)33-16-7-6-15-32-29-23-8-2-4-10-27(23)35-28-11-5-3-9-24(28)29/h2,4,8,10,12-13,18-19,34H,3,5-7,9,11,14-17H2,1H3,(H,31,36)(H,32,35)(H,33,37)
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n/an/a 15.5n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352329
PNG
(CHEMBL1822647)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r|
Show InChI InChI=1S/C26H32N8O3S/c1-16-12-22(31-30-16)28-24-19-6-5-11-34(19)32-25(29-24)38-18-9-7-17(8-10-18)27-23(36)15-33-13-20(35)21(14-33)37-26(2,3)4/h5-12,20-21,35H,13-15H2,1-4H3,(H,27,36)(H2,28,29,30,31,32)/t20-,21-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310226
PNG
(Acetic acid 3-[7-(3'-cyclopropylmethoxy-4'-difluor...)
Show SMILES CC(=O)Oc1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1
Show InChI InChI=1S/C25H21F2N3O4/c1-15(31)33-19-4-2-3-17(11-19)20-13-24-28-10-9-21(30(24)29-20)18-7-8-22(34-25(26)27)23(12-18)32-14-16-5-6-16/h2-4,7-13,16,25H,5-6,14H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 922-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310210
PNG
(7-(3'-Cyclopentyloxy-4'-methoxyphenyl)-2-(3-chloro...)
Show SMILES COc1ccc(cc1OC1CCCC1)-c1ccnc2cc(nn12)-c1cccc(Cl)c1
Show InChI InChI=1S/C24H22ClN3O2/c1-29-22-10-9-17(14-23(22)30-19-7-2-3-8-19)21-11-12-26-24-15-20(27-28(21)24)16-5-4-6-18(25)13-16/h4-6,9-15,19H,2-3,7-8H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 922-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132075
PNG
(US8841453, 5)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12
Show InChI InChI=1S/C28H30ClN5O3/c1-17(35)30-11-10-18-16-33-24-9-7-20(15-23(18)24)37-28(36)32-13-12-31-27-21-4-2-3-5-25(21)34-26-14-19(29)6-8-22(26)27/h6-9,14-16,33H,2-5,10-13H2,1H3,(H,30,35)(H,31,34)(H,32,36)
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n/an/a 20.1n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310225
PNG
(3-(7-(3-(cyclopropylmethoxy)-4-methoxyphenyl)pyraz...)
Show SMILES Oc1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1
Show InChI InChI=1S/C23H19F2N3O3/c24-23(25)31-20-7-6-16(11-21(20)30-13-14-4-5-14)19-8-9-26-22-12-18(27-28(19)22)15-2-1-3-17(29)10-15/h1-3,6-12,14,23,29H,4-5,13H2
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n/an/a 21n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 922-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352322
PNG
(CHEMBL1822654)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC4CCCC4)cc3)nn3cccc23)n[nH]1 |r|
Show InChI InChI=1S/C27H32N8O3S/c1-17-13-24(32-31-17)29-26-21-7-4-12-35(21)33-27(30-26)39-20-10-8-18(9-11-20)28-25(37)16-34-14-22(36)23(15-34)38-19-5-2-3-6-19/h4,7-13,19,22-23,36H,2-3,5-6,14-16H2,1H3,(H,28,37)(H2,29,30,31,32,33)/t22-,23-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352324
PNG
(CHEMBL1822652)
Show SMILES CC(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O |r|
Show InChI InChI=1S/C25H30N8O3S/c1-15(2)36-21-13-32(12-20(21)34)14-23(35)26-17-6-8-18(9-7-17)37-25-28-24(19-5-4-10-33(19)31-25)27-22-11-16(3)29-30-22/h4-11,15,20-21,34H,12-14H2,1-3H3,(H,26,35)(H2,27,28,29,30,31)/t20-,21-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310240
PNG
(3-[7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphen...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1
Show InChI InChI=1S/C26H24F2N4O3/c1-31(2)25(33)19-5-3-4-17(12-19)20-14-24-29-11-10-21(32(24)30-20)18-8-9-22(35-26(27)28)23(13-18)34-15-16-6-7-16/h3-5,8-14,16,26H,6-7,15H2,1-2H3
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n/an/a 23n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 922-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352323
PNG
(CHEMBL1822653)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OCC4CC4)cc3)nn3cccc23)n[nH]1 |r|
Show InChI InChI=1S/C26H30N8O3S/c1-16-11-23(31-30-16)28-25-20-3-2-10-34(20)32-26(29-25)38-19-8-6-18(7-9-19)27-24(36)14-33-12-21(35)22(13-33)37-15-17-4-5-17/h2-3,6-11,17,21-22,35H,4-5,12-15H2,1H3,(H,27,36)(H2,28,29,30,31,32)/t21-,22-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310244
PNG
(7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...)
Show SMILES COc1ccc(cc1OC)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1
Show InChI InChI=1S/C25H23F2N3O4/c1-31-20-7-5-16(11-22(20)32-2)18-13-24-28-10-9-19(30(24)29-18)17-6-8-21(34-25(26)27)23(12-17)33-14-15-3-4-15/h5-13,15,25H,3-4,14H2,1-2H3
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n/an/a 25n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 922-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM132087
PNG
(US8841453, 19)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12
Show InChI InChI=1S/C38H50ClN5O3/c1-27(45)40-23-20-28-26-43-34-19-17-30(25-33(28)34)47-38(46)42-22-13-9-7-5-3-2-4-6-8-12-21-41-37-31-14-10-11-15-35(31)44-36-24-29(39)16-18-32(36)37/h16-19,24-26,43H,2-15,20-23H2,1H3,(H,40,45)(H,41,44)(H,42,46)
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US Patent
n/an/a 25.6n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)


BindingDB Entry DOI: 10.7270/Q2W957VS
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352327
PNG
(CHEMBL1822649)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC(C)(C)C(F)(F)F)cc3)nn3cccc23)n[nH]1 |r|
Show InChI InChI=1S/C26H29F3N8O3S/c1-15-11-21(34-33-15)31-23-18-5-4-10-37(18)35-24(32-23)41-17-8-6-16(7-9-17)30-22(39)14-36-12-19(38)20(13-36)40-25(2,3)26(27,28)29/h4-11,19-20,38H,12-14H2,1-3H3,(H,30,39)(H2,31,32,33,34,35)/t19-,20-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310204
PNG
(7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)-c1ccnc2cc(nn12)-c1cccnc1
Show InChI InChI=1S/C22H18F2N4O2/c23-22(24)30-19-6-5-15(10-20(19)29-13-14-3-4-14)18-7-9-26-21-11-17(27-28(18)21)16-2-1-8-25-12-16/h1-2,5-12,14,22H,3-4,13H2
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n/an/a 27n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 922-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352326
PNG
(CHEMBL1822650)
Show SMILES CCC(C)(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O |r|
Show InChI InChI=1S/C27H34N8O3S/c1-5-27(3,4)38-22-15-34(14-21(22)36)16-24(37)28-18-8-10-19(11-9-18)39-26-30-25(20-7-6-12-35(20)33-26)29-23-13-17(2)31-32-23/h6-13,21-22,36H,5,14-16H2,1-4H3,(H,28,37)(H2,29,30,31,32,33)/t21-,22-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352321
PNG
(CHEMBL1822655)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](OC(C)(C)C)C(C4)N=O)cc3)nn3cccc23)n[nH]1 |r|
Show InChI InChI=1S/C26H31N9O3S/c1-16-12-22(31-30-16)28-24-20-6-5-11-35(20)32-25(29-24)39-18-9-7-17(8-10-18)27-23(36)15-34-13-19(33-37)21(14-34)38-26(2,3)4/h5-12,19,21H,13-15H2,1-4H3,(H,27,36)(H2,28,29,30,31,32)/t19?,21-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352307
PNG
(CHEMBL1822640)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r|
Show InChI InChI=1S/C23H25FN8O2S/c1-14-9-20(29-28-14)26-22-19-3-2-8-32(19)30-23(27-22)35-18-6-4-16(5-7-18)25-21(34)12-31-11-15(24)10-17(31)13-33/h2-9,15,17,33H,10-13H2,1H3,(H,25,34)(H2,26,27,28,29,30)/t15-,17-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310238
PNG
(3-[7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphen...)
Show SMILES CCNC(=O)c1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1
Show InChI InChI=1S/C26H24F2N4O3/c1-2-29-25(33)19-5-3-4-17(12-19)20-14-24-30-11-10-21(32(24)31-20)18-8-9-22(35-26(27)28)23(13-18)34-15-16-6-7-16/h3-5,8-14,16,26H,2,6-7,15H2,1H3,(H,29,33)
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n/an/a 28n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 922-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352320
PNG
(CHEMBL1822656)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccccc4F)cc3)nn3cccc23)n[nH]1 |r|
Show InChI InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-21-6-4-12-37(21)35-28(32-27)41-19-10-8-18(9-11-19)30-26(39)16-36-14-22(38)24(15-36)40-23-7-3-2-5-20(23)29/h2-13,22,24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t22-,24-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50352309
PNG
(CHEMBL1822638)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC(F)(F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r|
Show InChI InChI=1S/C23H24F2N8O2S/c1-14-9-19(30-29-14)27-21-18-3-2-8-33(18)31-22(28-21)36-17-6-4-15(5-7-17)26-20(35)11-32-13-23(24,25)10-16(32)12-34/h2-9,16,34H,10-13H2,1H3,(H,26,35)(H2,27,28,29,30,31)/t16-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells


Bioorg Med Chem Lett 21: 5296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.027
BindingDB Entry DOI: 10.7270/Q20P10D8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310245
PNG
(7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1
Show InChI InChI=1S/C25H23F2N3O4/c1-31-18-9-17(10-19(12-18)32-2)20-13-24-28-8-7-21(30(24)29-20)16-5-6-22(34-25(26)27)23(11-16)33-14-15-3-4-15/h5-13,15,25H,3-4,14H2,1-2H3
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n/an/a 29n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 922-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310211
PNG
(2-(3-Bromophenyl)-7-(3'-cyclopentyloxy-4'-methoxyp...)
Show SMILES COc1ccc(cc1OC1CCCC1)-c1ccnc2cc(nn12)-c1cccc(Br)c1
Show InChI InChI=1S/C24H22BrN3O2/c1-29-22-10-9-17(14-23(22)30-19-7-2-3-8-19)21-11-12-26-24-15-20(27-28(21)24)16-5-4-6-18(25)13-16/h4-6,9-15,19H,2-3,7-8H2,1H3
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n/an/a 30n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 922-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310213
PNG
(7-(3'-Cyclopentyloxy-4'-methoxyphenyl)-2-(2,5-dich...)
Show SMILES COc1ccc(cc1OC1CCCC1)-c1ccnc2cc(nn12)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C24H21Cl2N3O2/c1-30-22-9-6-15(12-23(22)31-17-4-2-3-5-17)21-10-11-27-24-14-20(28-29(21)24)18-13-16(25)7-8-19(18)26/h6-14,17H,2-5H2,1H3
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n/an/a 30n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 922-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S
More data for this
Ligand-Target Pair
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