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Compile Data Set for Download or QSAR

Found 659 hits with Last Name = 'pez' and Initial = 'd'   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50379273
PNG
(CHEMBL1994202 | US9238626, (-)-Huprine Y HCl)
Show SMILES CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)/t10-,11+/m0/s1
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n/an/a 0.0600n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...


US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 0.0800n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...


US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50379273
PNG
(CHEMBL1994202 | US9238626, (-)-Huprine Y HCl)
Show SMILES CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)/t10-,11+/m0/s1
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n/an/a 0.430n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...


US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 0.690n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...


US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50329915
PNG
(1-methyl-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCNCC4)nc3-c12
Show InChI InChI=1S/C22H23F3N8O2/c1-32-19-14(18(31-32)20(26)34)4-2-12-11-28-21(30-17(12)19)29-15-10-13(33-8-6-27-7-9-33)3-5-16(15)35-22(23,24)25/h3,5,10-11,27H,2,4,6-9H2,1H3,(H2,26,34)(H,28,29,30)
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n/an/a 2n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 20: 6489-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50343559
PNG
(1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-...)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C24H27F3N8O3/c1-33-6-8-34(9-7-33)15-3-5-18(38-24(25,26)27)17(12-15)30-23-29-13-14-2-4-16-20(22(28)37)32-35(10-11-36)21(16)19(14)31-23/h3,5,12-13,36H,2,4,6-11H2,1H3,(H2,28,37)(H,29,30,31)
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n/an/a 2n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Bioorg Med Chem Lett 21: 2969-74 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.054
BindingDB Entry DOI: 10.7270/Q27M088W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27380
PNG
((7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)[C@@H](CCF)CNC2=O |r|
Show InChI InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)/t7-/m0/s1
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27362
PNG
(7-(2-fluoroethyl)-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-...)
Show SMILES FCCC1CNC(=O)c2cc([nH]c12)-c1ccncc1
Show InChI InChI=1S/C14H14FN3O/c15-4-1-10-8-17-14(19)11-7-12(18-13(10)11)9-2-5-16-6-3-9/h2-3,5-7,10,18H,1,4,8H2,(H,17,19)
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Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27371
PNG
(2-(2-aminopyrimidin-4-yl)-7,7-dimethyl-1H,4H,5H,6H...)
Show SMILES CC1(C)CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1
Show InChI InChI=1S/C13H15N5O/c1-13(2)6-16-11(19)7-5-9(17-10(7)13)8-3-4-15-12(14)18-8/h3-5,17H,6H2,1-2H3,(H,16,19)(H2,14,15,18)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27359
PNG
(7-ethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,...)
Show SMILES CCC1CNC(=O)c2cc([nH]c12)-c1ccncc1
Show InChI InChI=1S/C14H15N3O/c1-2-9-8-16-14(18)11-7-12(17-13(9)11)10-3-5-15-6-4-10/h3-7,9,17H,2,8H2,1H3,(H,16,18)
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n/an/a 2n/an/an/an/a7.925



Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM202364
PNG
(US9238626, (-)-(Ib) HCl)
Show SMILES CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |r,t:1|
Show InChI InChI=1/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50)/t24-,25+/s2
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n/an/a 2.40n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...


US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50343568
PNG
(1-methyl-8-(5-(1-methyl-1,2,3,6-tetrahydropyridin-...)
Show SMILES CN1CCC(=CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 |c:4|
Show InChI InChI=1S/C24H24F3N7O2/c1-33-9-7-13(8-10-33)14-4-6-18(36-24(25,26)27)17(11-14)30-23-29-12-15-3-5-16-20(22(28)35)32-34(2)21(16)19(15)31-23/h4,6-7,11-12H,3,5,8-10H2,1-2H3,(H2,28,35)(H,29,30,31)
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n/an/a 3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Bioorg Med Chem Lett 21: 2969-74 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.054
BindingDB Entry DOI: 10.7270/Q27M088W
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27363
PNG
(7,7-dimethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrro...)
Show SMILES CC1(C)CNC(=O)c2cc([nH]c12)-c1ccncc1
Show InChI InChI=1S/C14H15N3O/c1-14(2)8-16-13(18)10-7-11(17-12(10)14)9-3-5-15-6-4-9/h3-7,17H,8H2,1-2H3,(H,16,18)
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n/an/a 3n/an/an/an/a7.925



Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27348
PNG
(6-(2-methylpropyl)-2-(pyridin-4-yl)-1H,4H,5H,6H,7H...)
Show SMILES CC(C)CC1Cc2[nH]c(cc2C(=O)N1)-c1ccncc1
Show InChI InChI=1S/C16H19N3O/c1-10(2)7-12-8-15-13(16(20)18-12)9-14(19-15)11-3-5-17-6-4-11/h3-6,9-10,12,19H,7-8H2,1-2H3,(H,18,20)
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Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50329914
PNG
(1-methyl-8-(5-(4-methylpiperazin-1-yl)-2-(trifluor...)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C23H25F3N8O2/c1-32-7-9-34(10-8-32)14-4-6-17(36-23(24,25)26)16(11-14)29-22-28-12-13-3-5-15-19(21(27)35)31-33(2)20(15)18(13)30-22/h4,6,11-12H,3,5,7-10H2,1-2H3,(H2,27,35)(H,28,29,30)
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n/an/a 3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Bioorg Med Chem Lett 21: 2969-74 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.054
BindingDB Entry DOI: 10.7270/Q27M088W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50329914
PNG
(1-methyl-8-(5-(4-methylpiperazin-1-yl)-2-(trifluor...)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C23H25F3N8O2/c1-32-7-9-34(10-8-32)14-4-6-17(36-23(24,25)26)16(11-14)29-22-28-12-13-3-5-15-19(21(27)35)31-33(2)20(15)18(13)30-22/h4,6,11-12H,3,5,7-10H2,1-2H3,(H2,27,35)(H,28,29,30)
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n/an/a 3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 20: 6489-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27361
PNG
(7-cyclobutyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrro...)
Show SMILES O=C1NCC(C2CCC2)c2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C16H17N3O/c20-16-12-8-14(11-4-6-17-7-5-11)19-15(12)13(9-18-16)10-2-1-3-10/h4-8,10,13,19H,1-3,9H2,(H,18,20)
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n/an/a 3n/an/an/an/a7.925



Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27370
PNG
(2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1H,4H,...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CCF)CNC2=O
Show InChI InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)
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n/an/a 3n/an/an/an/a7.925



Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM202363
PNG
(US9238626, (+/-)-(Ib) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50)
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US Patent
n/an/a 3.60n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...


US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27377
PNG
(2-(2-aminopyrimidin-4-yl)-7-(2-hydroxyethyl)-1H,4H...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CCO)CNC2=O
Show InChI InChI=1S/C13H15N5O2/c14-13-15-3-1-9(18-13)10-5-8-11(17-10)7(2-4-19)6-16-12(8)20/h1,3,5,7,17,19H,2,4,6H2,(H,16,20)(H2,14,15,18)
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n/an/a 4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27368
PNG
(2-(2-aminopyrimidin-4-yl)-7-(propan-2-yl)-1H,4H,5H...)
Show SMILES CC(C)C1CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1
Show InChI InChI=1S/C14H17N5O/c1-7(2)9-6-17-13(20)8-5-11(18-12(8)9)10-3-4-16-14(15)19-10/h3-5,7,9,18H,6H2,1-2H3,(H,17,20)(H2,15,16,19)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50329913
PNG
(1-(2-fluoroethyl)-8-(5-(piperazin-1-yl)-2-(trifluo...)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCF)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C24H26F4N8O2/c1-34-8-10-35(11-9-34)15-3-5-18(38-24(26,27)28)17(12-15)31-23-30-13-14-2-4-16-20(22(29)37)33-36(7-6-25)21(16)19(14)32-23/h3,5,12-13H,2,4,6-11H2,1H3,(H2,29,37)(H,30,31,32)
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n/an/a 4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 20: 6489-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50329926
PNG
(8-(5-(piperazin-1-yl)-2-(trifluoromethoxy)phenylam...)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(n[nH]c4C(N)=O)-c3n2)c1
Show InChI InChI=1S/C22H23F3N8O2/c1-32-6-8-33(9-7-32)13-3-5-16(35-22(23,24)25)15(10-13)28-21-27-11-12-2-4-14-18(17(12)29-21)30-31-19(14)20(26)34/h3,5,10-11H,2,4,6-9H2,1H3,(H2,26,34)(H,30,31)(H,27,28,29)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 20: 6489-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Acetylcholinesterase


(Homo sapiens (Human))
BDBM202362
PNG
(US9238626, (+/-)-(Ia) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1/C40H40ClN3O5/c1-22-15-23-17-24(16-22)34-31(18-23)44-30-21-26(41)11-12-27(30)37(34)42-13-6-4-2-3-5-7-14-43-40(49)25-19-29-36(33(46)20-25)39(48)35-28(38(29)47)9-8-10-32(35)45/h8-12,15,19-21,23-24,45-46H,2-7,13-14,16-18H2,1H3,(H,42,44)(H,43,49)
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US Patent
n/an/a 4.40n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...


US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27372
PNG
(2-(2-aminopyrimidin-4-yl)-7,7-diethyl-1H,4H,5H,6H,...)
Show SMILES CCC1(CC)CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1
Show InChI InChI=1S/C15H19N5O/c1-3-15(4-2)8-18-13(21)9-7-11(19-12(9)15)10-5-6-17-14(16)20-10/h5-7,19H,3-4,8H2,1-2H3,(H,18,21)(H2,16,17,20)
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n/an/a 5n/an/an/an/a7.925



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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27369
PNG
(2-(2-aminopyrimidin-4-yl)-7-cyclobutyl-1H,4H,5H,6H...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CNC2=O)C1CCC1
Show InChI InChI=1S/C15H17N5O/c16-15-17-5-4-11(20-15)12-6-9-13(19-12)10(7-18-14(9)21)8-2-1-3-8/h4-6,8,10,19H,1-3,7H2,(H,18,21)(H2,16,17,20)
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n/an/a 5n/an/an/an/a7.925



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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27367
PNG
(2-(2-aminopyrimidin-4-yl)-7-ethyl-1H,4H,5H,6H,7H-p...)
Show SMILES CCC1CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1
Show InChI InChI=1S/C13H15N5O/c1-2-7-6-16-12(19)8-5-10(17-11(7)8)9-3-4-15-13(14)18-9/h3-5,7,17H,2,6H2,1H3,(H,16,19)(H2,14,15,18)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27347
PNG
(6-cyclopropyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrr...)
Show SMILES O=C1NC(Cc2[nH]c(cc12)-c1ccncc1)C1CC1
Show InChI InChI=1S/C15H15N3O/c19-15-11-7-12(10-3-5-16-6-4-10)17-14(11)8-13(18-15)9-1-2-9/h3-7,9,13,17H,1-2,8H2,(H,18,19)
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n/an/a 5n/an/an/an/a7.925



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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27379
PNG
((7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)[C@H](CCF)CNC2=O |r|
Show InChI InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)/t7-/m1/s1
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50343569
PNG
(9-methyl-2-(5-(1-methylpiperidin-4-yl)-2-(trifluor...)
Show SMILES CN1CCC(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(cn(C)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C25H27F3N6O2/c1-33-9-7-14(8-10-33)15-4-6-20(36-25(26,27)28)19(11-15)31-24-30-12-16-3-5-17-18(23(29)35)13-34(2)22(17)21(16)32-24/h4,6,11-14H,3,5,7-10H2,1-2H3,(H2,29,35)(H,30,31,32)
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n/an/a 6n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Bioorg Med Chem Lett 21: 2969-74 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.054
BindingDB Entry DOI: 10.7270/Q27M088W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50329927
PNG
(1-ethyl-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy)...)
Show SMILES CCn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12
Show InChI InChI=1S/C24H27F3N8O2/c1-3-35-21-16(20(32-35)22(28)36)6-4-14-13-29-23(31-19(14)21)30-17-12-15(34-10-8-33(2)9-11-34)5-7-18(17)37-24(25,26)27/h5,7,12-13H,3-4,6,8-11H2,1-2H3,(H2,28,36)(H,29,30,31)
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n/an/a 6n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 20: 6489-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50329929
PNG
(8-(5-(piperazin-1-yl)-2-(trifluoromethoxy)phenylam...)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C=C)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C24H25F3N8O2/c1-3-35-21-16(20(32-35)22(28)36)6-4-14-13-29-23(31-19(14)21)30-17-12-15(34-10-8-33(2)9-11-34)5-7-18(17)37-24(25,26)27/h3,5,7,12-13H,1,4,6,8-11H2,2H3,(H2,28,36)(H,29,30,31)
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n/an/a 6n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 20: 6489-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27346
PNG
(6-(propan-2-yl)-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-py...)
Show SMILES CC(C)C1Cc2[nH]c(cc2C(=O)N1)-c1ccncc1
Show InChI InChI=1S/C15H17N3O/c1-9(2)12-8-14-11(15(19)18-12)7-13(17-14)10-3-5-16-6-4-10/h3-7,9,12,17H,8H2,1-2H3,(H,18,19)
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n/an/a 6n/an/an/an/a7.925



Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27364
PNG
(7,7-diethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrol...)
Show SMILES CCC1(CC)CNC(=O)c2cc([nH]c12)-c1ccncc1
Show InChI InChI=1S/C16H19N3O/c1-3-16(4-2)10-18-15(20)12-9-13(19-14(12)16)11-5-7-17-8-6-11/h5-9,19H,3-4,10H2,1-2H3,(H,18,20)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27366
PNG
(2-(2-aminopyrimidin-4-yl)-7-methyl-1H,4H,5H,6H,7H-...)
Show SMILES CC1CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1
Show InChI InChI=1S/C12H13N5O/c1-6-5-15-11(18)7-4-9(16-10(6)7)8-2-3-14-12(13)17-8/h2-4,6,16H,5H2,1H3,(H,15,18)(H2,13,14,17)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27351
PNG
(2-(2-aminopyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3...)
Show SMILES Nc1nccc(n1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C11H11N5O/c12-11-14-4-2-8(16-11)9-5-6-7(15-9)1-3-13-10(6)17/h2,4-5,15H,1,3H2,(H,13,17)(H2,12,14,16)
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n/an/a 7n/an/an/an/a7.925



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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27375
PNG
(2-(2-aminopyrimidin-4-yl)-7-[2-(benzyloxy)ethyl]-1...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CCOCc1ccccc1)CNC2=O
Show InChI InChI=1S/C20H21N5O2/c21-20-22-8-6-16(25-20)17-10-15-18(24-17)14(11-23-19(15)26)7-9-27-12-13-4-2-1-3-5-13/h1-6,8,10,14,24H,7,9,11-12H2,(H,23,26)(H2,21,22,25)
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n/an/a 7n/an/an/an/an/an/a



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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50329916
PNG
(1-(2-chloroethyl)-8-(5-(piperazin-1-yl)-2-(trifluo...)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCCl)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C24H26ClF3N8O2/c1-34-8-10-35(11-9-34)15-3-5-18(38-24(26,27)28)17(12-15)31-23-30-13-14-2-4-16-20(22(29)37)33-36(7-6-25)21(16)19(14)32-23/h3,5,12-13H,2,4,6-11H2,1H3,(H2,29,37)(H,30,31,32)
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n/an/a 7n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 20: 6489-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM202366
PNG
(US9238626, (+/-)-(Ic) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1/C42H44ClN3O5/c1-24-17-25-19-26(18-24)36-33(20-25)46-32-23-28(43)13-14-29(32)39(36)44-15-8-6-4-2-3-5-7-9-16-45-42(51)27-21-31-38(35(48)22-27)41(50)37-30(40(31)49)11-10-12-34(37)47/h10-14,17,21-23,25-26,47-48H,2-9,15-16,18-20H2,1H3,(H,44,46)(H,45,51)
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US Patent
n/an/a 7.60n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...


US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27355
PNG
(2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1H,4H...)
Show SMILES CC(C)CC1Cc2[nH]c(cc2C(=O)N1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H19N5O/c1-8(2)5-9-6-12-10(14(21)18-9)7-13(19-12)11-3-4-17-15(16)20-11/h3-4,7-9,19H,5-6H2,1-2H3,(H,18,21)(H2,16,17,20)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50329921
PNG
(8-(5-(4-ethylpiperazin-1-yl)-2-(trifluoromethoxy)p...)
Show SMILES CCN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C24H27F3N8O2/c1-3-34-8-10-35(11-9-34)15-5-7-18(37-24(25,26)27)17(12-15)30-23-29-13-14-4-6-16-20(22(28)36)32-33(2)21(16)19(14)31-23/h5,7,12-13H,3-4,6,8-11H2,1-2H3,(H2,28,36)(H,29,30,31)
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n/an/a 8n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 20: 6489-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM202364
PNG
(US9238626, (-)-(Ib) HCl)
Show SMILES CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |r,t:1|
Show InChI InChI=1/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50)/t24-,25+/s2
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US Patent
n/an/a 9.40n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...


US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27360
PNG
(7-(propan-2-yl)-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-py...)
Show SMILES CC(C)C1CNC(=O)c2cc([nH]c12)-c1ccncc1
Show InChI InChI=1S/C15H17N3O/c1-9(2)12-8-17-15(19)11-7-13(18-14(11)12)10-3-5-16-6-4-10/h3-7,9,12,18H,8H2,1-2H3,(H,17,19)
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n/an/a 10n/an/an/an/a7.925



Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27358
PNG
(7-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3...)
Show SMILES CC1CNC(=O)c2cc([nH]c12)-c1ccncc1
Show InChI InChI=1S/C13H13N3O/c1-8-7-15-13(17)10-6-11(16-12(8)10)9-2-4-14-5-3-9/h2-6,8,16H,7H2,1H3,(H,15,17)
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n/an/a 10n/an/an/an/a7.925



Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27344
PNG
(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
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n/an/a 10n/an/an/an/a7.925



Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27374
PNG
(2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CCC(F)(F)F)CNC2=O
Show InChI InChI=1S/C14H14F3N5O/c15-14(16,17)3-1-7-6-20-12(23)8-5-10(21-11(7)8)9-2-4-19-13(18)22-9/h2,4-5,7,21H,1,3,6H2,(H,20,23)(H2,18,19,22)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27354
PNG
(2-(2-aminopyrimidin-4-yl)-6-cyclopropyl-1H,4H,5H,6...)
Show SMILES Nc1nccc(n1)-c1cc2c(CC(NC2=O)C2CC2)[nH]1
Show InChI InChI=1S/C14H15N5O/c15-14-16-4-3-9(19-14)12-5-8-11(17-12)6-10(7-1-2-7)18-13(8)20/h3-5,7,10,17H,1-2,6H2,(H,18,20)(H2,15,16,19)
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n/an/a 11n/an/an/an/a7.925



Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27353
PNG
(2-(2-aminopyrimidin-4-yl)-6-(propan-2-yl)-1H,4H,5H...)
Show SMILES CC(C)C1Cc2[nH]c(cc2C(=O)N1)-c1ccnc(N)n1
Show InChI InChI=1S/C14H17N5O/c1-7(2)10-6-11-8(13(20)18-10)5-12(17-11)9-3-4-16-14(15)19-9/h3-5,7,10,17H,6H2,1-2H3,(H,18,20)(H2,15,16,19)
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n/an/a 12n/an/an/an/a7.925



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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27378
PNG
(2-(2-aminopyrimidin-4-yl)-7-(3-hydroxypropyl)-1H,4...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CCCO)CNC2=O
Show InChI InChI=1S/C14H17N5O2/c15-14-16-4-3-10(19-14)11-6-9-12(18-11)8(2-1-5-20)7-17-13(9)21/h3-4,6,8,18,20H,1-2,5,7H2,(H,17,21)(H2,15,16,19)
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n/an/a 12n/an/an/an/an/an/a



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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27345
PNG
(6-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3...)
Show SMILES CC1Cc2[nH]c(cc2C(=O)N1)-c1ccncc1
Show InChI InChI=1S/C13H13N3O/c1-8-6-12-10(13(17)15-8)7-11(16-12)9-2-4-14-5-3-9/h2-5,7-8,16H,6H2,1H3,(H,15,17)
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n/an/a 13n/an/an/an/a7.925



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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
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