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Compile Data Set for Download or QSAR

Found 4281 hits with Last Name = 'marakovits' and Initial = 'j'   
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
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101546
PNG
(US8530494, 211 | US8530652, 125 | US8530652, 73)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H29N7O2S/c1-15-26-18-11-12-35-20(18)23(27-15)28-22-17-13-32(25(2,3)21(17)29-30-22)24(33)34-19(14-31(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H2,26,27,28,29,30)/t19-/m1/s1
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 1.60n/an/an/a<3.90n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101542
PNG
(US8530494, 207 | US8530652, 121 | US8530652, 69)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3nc(C)nc4sccc34)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H29N7O2S/c1-15-26-21(17-11-12-35-23(17)27-15)28-22-18-13-32(25(2,3)20(18)29-30-22)24(33)34-19(14-31(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H2,26,27,28,29,30)/t19-/m1/s1
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 1.90n/an/an/a 3n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101479
PNG
(US8524710, 56 | US8530652, 50 | US8530652, 6)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(Cl)nc4ccsc34)n[nH]c2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C24H27ClN8OS/c1-24(2)19-15(20(31-30-19)28-21-18-16(10-11-35-18)26-22(25)29-21)12-33(24)23(34)27-17(13-32(3)4)14-8-6-5-7-9-14/h5-11,17H,12-13H2,1-4H3,(H,27,34)(H2,26,28,29,30,31)/t17-/m1/s1
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 2.80n/an/an/a 0.940n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50389112
PNG
(CHEMBL2064556)
Show SMILES CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccc(NCc5ccc(cc5)-c5ccccn5)cc4[nH]3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C37H34N8O/c1-45(2)23-34(25-8-4-3-5-9-25)42-37(46)27-15-17-31-29(20-27)35(44-43-31)36-40-32-18-16-28(21-33(32)41-36)39-22-24-11-13-26(14-12-24)30-10-6-7-19-38-30/h3-21,34,39H,22-23H2,1-2H3,(H,40,41)(H,42,46)(H,43,44)/t34-/m1/s1
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 2.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4

J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
BindingDB Entry DOI: 10.7270/Q2BZ673W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101537
PNG
(US8530494, 204 | US8530652, 115 | US8530652, 64)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(nc4ccccc34)C#N)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C27H29N9O/c1-27(2)23-19(15-36(27)26(37)30-21(16-35(3)4)17-10-6-5-7-11-17)25(34-33-23)32-24-18-12-8-9-13-20(18)29-22(14-28)31-24/h5-13,21H,15-16H2,1-4H3,(H,30,37)(H2,29,31,32,33,34)/t21-/m1/s1
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 3n/an/an/a<3.90n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50389111
PNG
(CHEMBL2064555)
Show SMILES CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H24N6O/c1-31(2)15-22(16-8-4-3-5-9-16)28-25(32)17-12-13-19-18(14-17)23(30-29-19)24-26-20-10-6-7-11-21(20)27-24/h3-14,22H,15H2,1-2H3,(H,26,27)(H,28,32)(H,29,30)/t22-/m1/s1
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 3.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2

J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
BindingDB Entry DOI: 10.7270/Q2BZ673W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM4838
PNG
(US8524710, 83 | US8530494, 13 | US8530652, 52)
Show SMILES Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2sccc2n1 |r|
Show InChI InChI=1S/C24H25N7OS/c1-13-25-17-9-10-33-19(17)22(26-13)28-21-16-12-31(24(2,3)20(16)29-30-21)23(32)27-18-11-15(18)14-7-5-4-6-8-14/h4-10,15,18H,11-12H2,1-3H3,(H,27,32)(H2,25,26,28,29,30)/t15-,18+/m0/s1
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 3.5n/an/an/a 19n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM4838
PNG
(US8524710, 83 | US8530494, 13 | US8530652, 52)
Show SMILES Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2sccc2n1 |r|
Show InChI InChI=1S/C24H25N7OS/c1-13-25-17-9-10-33-19(17)22(26-13)28-21-16-12-31(24(2,3)20(16)29-30-21)23(32)27-18-11-15(18)14-7-5-4-6-8-14/h4-10,15,18H,11-12H2,1-3H3,(H,27,32)(H2,25,26,28,29,30)/t15-,18+/m0/s1
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 3.5n/an/an/a 19n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101547
PNG
(US8530494, 212 | US8530652, 126 | US8530652, 74)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3nc(nc4ccccc34)C#N)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C27H28N8O2/c1-27(2)23-19(15-35(27)26(36)37-21(16-34(3)4)17-10-6-5-7-11-17)25(33-32-23)31-24-18-12-8-9-13-20(18)29-22(14-28)30-24/h5-13,21H,15-16H2,1-4H3,(H2,29,30,31,32,33)/t21-/m1/s1
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 3.60n/an/an/a<3.90n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50122777
PNG
(1-Phenyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azu...)
Show SMILES O=C1NCCn2c(nc3cccc1c23)-c1ccccc1
Show InChI InChI=1S/C16H13N3O/c20-16-12-7-4-8-13-14(12)19(10-9-17-16)15(18-13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,20)
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 4.10n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1

J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50122775
PNG
(1-(4-Hydroxymethyl-phenyl)-8,9-dihydro-7H-2,7,9a-t...)
Show SMILES OCc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C17H15N3O2/c21-10-11-4-6-12(7-5-11)16-19-14-3-1-2-13-15(14)20(16)9-8-18-17(13)22/h1-7,21H,8-10H2,(H,18,22)
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 4.20n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1

J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50122781
PNG
(1-Naphthalen-1-yl-8,9-dihydro-7H-2,7,9a-triaza-ben...)
Show SMILES O=C1NCCn2c(nc3cccc1c23)-c1cccc2ccccc12
Show InChI InChI=1S/C20H15N3O/c24-20-16-9-4-10-17-18(16)23(12-11-21-20)19(22-17)15-8-3-6-13-5-1-2-7-14(13)15/h1-10H,11-12H2,(H,21,24)
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 4.90n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1

J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101544
PNG
(US8530494, 105 | US8530652, 123 | US8530652, 71)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3ncnc4sc(C)cc34)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H29N7O2S/c1-15-11-17-21(26-14-27-23(17)35-15)28-22-18-12-32(25(2,3)20(18)29-30-22)24(33)34-19(13-31(4)5)16-9-7-6-8-10-16/h6-11,14,19H,12-13H2,1-5H3,(H2,26,27,28,29,30)/t19-/m1/s1
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 5.20n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101548
PNG
(US8530494, 108 | US8530652, 127 | US8530652, 75)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3ncnc4sccc34)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C24H27N7O2S/c1-24(2)19-17(21(29-28-19)27-20-16-10-11-34-22(16)26-14-25-20)12-31(24)23(32)33-18(13-30(3)4)15-8-6-5-7-9-15/h5-11,14,18H,12-13H2,1-4H3,(H2,25,26,27,28,29)/t18-/m1/s1
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 5.20n/an/an/a<3.90n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50122779
PNG
(1-(4-Chloro-phenyl)-8,9-dihydro-7H-2,7,9a-triaza-b...)
Show SMILES Clc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C16H12ClN3O/c17-11-6-4-10(5-7-11)15-19-13-3-1-2-12-14(13)20(15)9-8-18-16(12)21/h1-7H,8-9H2,(H,18,21)
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 5.70n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1

J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50122776
PNG
(1-(4-Dimethylaminomethyl-phenyl)-8,9-dihydro-7H-2,...)
Show SMILES CN(C)Cc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24)
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 5.80n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1

J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM34012
PNG
(3-fluorophenylalanine derivative, 21b)
Show SMILES OP(O)(=O)OC[C@@H](Cc1cccc(F)c1)NC(=O)c1cc2ccccc2s1 |r|
Show InChI InChI=1S/C18H17FNO5PS/c19-14-6-3-4-12(8-14)9-15(11-25-26(22,23)24)20-18(21)17-10-13-5-1-2-7-16(13)27-17/h1-8,10,15H,9,11H2,(H,20,21)(H2,22,23,24)/t15-/m1/s1
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 6 -45.4n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...

Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50389111
PNG
(CHEMBL2064555)
Show SMILES CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H24N6O/c1-31(2)15-22(16-8-4-3-5-9-16)28-25(32)17-12-13-19-18(14-17)23(30-29-19)24-26-20-10-6-7-11-21(20)27-24/h3-14,22H,15H2,1-2H3,(H,26,27)(H,28,32)(H,29,30)/t22-/m1/s1
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 6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4

J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
BindingDB Entry DOI: 10.7270/Q2BZ673W
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50314714
PNG
((R)-N-(1-(3-fluorophenyl)-3-hydroxypropan-2-yl)ben...)
Show SMILES OC[C@@H](Cc1cccc(F)c1)NC(=O)c1cc2ccccc2s1 |r|
Show InChI InChI=1S/C18H16FNO2S/c19-14-6-3-4-12(8-14)9-15(11-21)20-18(22)17-10-13-5-1-2-7-16(13)23-17/h1-8,10,15,21H,9,11H2,(H,20,22)/t15-/m1/s1
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 6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay

Bioorg Med Chem Lett 20: 2210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.033
BindingDB Entry DOI: 10.7270/Q2GX4BPW
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50122772
PNG
(1-(3-Dimethylaminomethyl-phenyl)-8,9-dihydro-7H-2,...)
Show SMILES CN(C)Cc1cccc(c1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C19H20N4O/c1-22(2)12-13-5-3-6-14(11-13)18-21-16-8-4-7-15-17(16)23(18)10-9-20-19(15)24/h3-8,11H,9-10,12H2,1-2H3,(H,20,24)
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 6.30n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1

J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101541
PNG
(US8530494, 104 | US8530652, 120 | US8530652, 68)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3ncnc4ccsc34)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C24H27N7O2S/c1-24(2)20-16(21(29-28-20)27-22-19-17(10-11-34-19)25-14-26-22)12-31(24)23(32)33-18(13-30(3)4)15-8-6-5-7-9-15/h5-11,14,18H,12-13H2,1-4H3,(H2,25,26,27,28,29)/t18-/m1/s1
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US Patent
 6.70n/an/an/a 20n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101504
PNG
(US8524699, 91 | US8524710, 82 | US8530652, 31)
Show SMILES Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2ccsc2n1 |r|
Show InChI InChI=1S/C24H25N7OS/c1-13-25-20(15-9-10-33-22(15)26-13)28-21-17-12-31(24(2,3)19(17)29-30-21)23(32)27-18-11-16(18)14-7-5-4-6-8-14/h4-10,16,18H,11-12H2,1-3H3,(H,27,32)(H2,25,26,28,29,30)/t16-,18+/m0/s1
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US Patent
 7.20n/an/an/a 21n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50122774
PNG
(1-(2-Chloro-phenyl)-8,9-dihydro-7H-2,7,9a-triaza-b...)
Show SMILES Clc1ccccc1-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C16H12ClN3O/c17-12-6-2-1-4-10(12)15-19-13-7-3-5-11-14(13)20(15)9-8-18-16(11)21/h1-7H,8-9H2,(H,18,21)
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 7.70n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1

J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM34011
PNG
(3-fluorophenylalanine derivative, 21a)
Show SMILES OP(O)(=O)OC[C@@H](Cc1cccc(F)c1)NC(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C20H19FNO5P/c21-18-7-3-4-14(10-18)11-19(13-27-28(24,25)26)22-20(23)17-9-8-15-5-1-2-6-16(15)12-17/h1-10,12,19H,11,13H2,(H,22,23)(H2,24,25,26)/t19-/m1/s1
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 8 -44.7n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...

Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101549
PNG
(US8530494, 109 | US8530652, 128 | US8530652, 76)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3ccnc(n3)C(F)(F)F)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C23H26F3N7O2/c1-22(2)18-15(19(31-30-18)28-17-10-11-27-20(29-17)23(24,25)26)12-33(22)21(34)35-16(13-32(3)4)14-8-6-5-7-9-14/h5-11,16H,12-13H2,1-4H3,(H2,27,28,29,30,31)/t16-/m1/s1
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 8.30n/an/an/a<3.90n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50122780
PNG
(1-(3-Hydroxymethyl-phenyl)-8,9-dihydro-7H-2,7,9a-t...)
Show SMILES OCc1cccc(c1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C17H15N3O2/c21-10-11-3-1-4-12(9-11)16-19-14-6-2-5-13-15(14)20(16)8-7-18-17(13)22/h1-6,9,21H,7-8,10H2,(H,18,22)
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 8.80n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1

J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101543
PNG
(US8530494, 206 | US8530652, 122 | US8530652, 70)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3ccnc(n3)C#N)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C23H26N8O2/c1-23(2)20-16(21(29-28-20)27-18-10-11-25-19(12-24)26-18)13-31(23)22(32)33-17(14-30(3)4)15-8-6-5-7-9-15/h5-11,17H,13-14H2,1-4H3,(H2,25,26,27,28,29)/t17-/m1/s1
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 8.80n/an/an/a 1.90n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101476
PNG
(US8524710, 53 | US8530652, 3 | US8530652, 47)
Show SMILES CN1CCN([C@@H](Cc2ccccc2)C1)C(=O)N1Cc2c(Nc3nc(Cl)nc4ccsc34)[nH]nc2C1(C)C |r|
Show InChI InChI=1S/C26H29ClN8OS/c1-26(2)21-18(22(32-31-21)29-23-20-19(9-12-37-20)28-24(27)30-23)15-35(26)25(36)34-11-10-33(3)14-17(34)13-16-7-5-4-6-8-16/h4-9,12,17H,10-11,13-15H2,1-3H3,(H2,28,29,30,31,32)/t17-/m0/s1
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 11n/an/an/a 16n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50122773
PNG
(1-(3-Trifluoromethyl-phenyl)-8,9-dihydro-7H-2,7,9a...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C17H12F3N3O/c18-17(19,20)11-4-1-3-10(9-11)15-22-13-6-2-5-12-14(13)23(15)8-7-21-16(12)24/h1-6,9H,7-8H2,(H,21,24)
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 11.2n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1

J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50389116
PNG
(CHEMBL2064561)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H29N5O3/c1-25(2)21-19(22(28-27-21)26-23(31)18-13-9-6-10-14-18)15-30(25)24(32)33-20(16-29(3)4)17-11-7-5-8-12-17/h5-14,20H,15-16H2,1-4H3,(H2,26,27,28,31)/t20-/m1/s1
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 12n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4

J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
BindingDB Entry DOI: 10.7270/Q2BZ673W
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50056217
PNG
(CHEMBL3353369)
Show SMILES OC(=O)[C@@H](Cc1cc2ccc(F)cc2[nH]1)NC(=O)CC1c2ccccc2-c2ccccc12 |r|
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 12n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)

Bioorg Med Chem Lett 24: 4187-91 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50389117
PNG
(CHEMBL2064562)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H28FN5O3/c1-25(2)21-19(22(29-28-21)27-23(32)17-10-12-18(26)13-11-17)14-31(25)24(33)34-20(15-30(3)4)16-8-6-5-7-9-16/h5-13,20H,14-15H2,1-4H3,(H2,27,28,29,32)/t20-/m1/s1
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 13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4

J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
BindingDB Entry DOI: 10.7270/Q2BZ673W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101475
PNG
(US8524710, 52 | US8530652, 2 | US8530652, 46)
Show SMILES CC1(C)N(Cc2c(Nc3nc(Cl)nc4ccsc34)[nH]nc12)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C23H22ClN7OS/c1-23(2)18-14(11-31(23)22(32)26-16-10-13(16)12-6-4-3-5-7-12)19(30-29-18)27-20-17-15(8-9-33-17)25-21(24)28-20/h3-9,13,16H,10-11H2,1-2H3,(H,26,32)(H2,25,27,28,29,30)
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 14n/an/an/a 36n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101530
PNG
(US8530494, 29 | US8530494, 7 | US8530652, 57)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ncnc4n(C)cnc34)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C24H30N10O/c1-24(2)19-16(20(31-30-19)29-21-18-22(26-13-25-21)33(5)14-27-18)11-34(24)23(35)28-17(12-32(3)4)15-9-7-6-8-10-15/h6-10,13-14,17H,11-12H2,1-5H3,(H,28,35)(H2,25,26,29,30,31)/t17-/m1/s1
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 14n/an/an/a 2.5n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101535
PNG
(US8530494, 104 | US8530652, 113 | US8530652, 62)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ncnc4sc(C)cc34)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H30N8OS/c1-15-11-17-21(26-14-27-23(17)35-15)29-22-18-12-33(25(2,3)20(18)30-31-22)24(34)28-19(13-32(4)5)16-9-7-6-8-10-16/h6-11,14,19H,12-13H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1
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 15n/an/an/a 15n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101515
PNG
(US8524699, 26 | US8530652, 42 | US8530670, 31)
Show SMILES CC1(C)N(Cc2c(Nc3ncnc4sccc34)[nH]nc12)C(=O)N[C@@H]1C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C23H23N7OS/c1-23(2)18-16(20(29-28-18)27-19-14-8-9-32-21(14)25-12-24-19)11-30(23)22(31)26-17-10-15(17)13-6-4-3-5-7-13/h3-9,12,15,17H,10-11H2,1-2H3,(H,26,31)(H2,24,25,27,28,29)/t15-,17+/m0/s1
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 16n/an/an/a 340n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101545
PNG
(US8530494, 107 | US8530652, 124 | US8530652, 72)
Show SMILES CCOc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)n1 |r|
Show InChI InChI=1S/C24H30FN7O3/c1-6-34-22-26-12-17(25)21(28-22)27-20-16-13-32(24(2,3)19(16)29-30-20)23(33)35-18(14-31(4)5)15-10-8-7-9-11-15/h7-12,18H,6,13-14H2,1-5H3,(H2,26,27,28,29,30)/t18-/m1/s1
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 16n/an/an/a 4.40n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101513
PNG
(US8524699, 18 | US8530652, 40 | US8530652, 85)
Show SMILES CC1(C)N(Cc2c(Nc3nc(nc4ccccc34)C#N)[nH]nc12)C(=O)N[C@@H]1C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C26H24N8O/c1-26(2)22-18(14-34(26)25(35)29-20-12-17(20)15-8-4-3-5-9-15)24(33-32-22)31-23-16-10-6-7-11-19(16)28-21(13-27)30-23/h3-11,17,20H,12,14H2,1-2H3,(H,29,35)(H2,28,30,31,32,33)/t17-,20+/m0/s1
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 18n/an/an/a 98n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101524
PNG
(US8530652, 51 | US8530652, 96)
Show SMILES CC1(C)N(Cc2c(Nc3ncnc4ccsc34)[nH]nc12)C(=O)N[C@@H]1C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C23H23N7OS/c1-23(2)19-15(20(29-28-19)27-21-18-16(8-9-32-18)24-12-25-21)11-30(23)22(31)26-17-10-14(17)13-6-4-3-5-7-13/h3-9,12,14,17H,10-11H2,1-2H3,(H,26,31)(H2,24,25,27,28,29)/t14-,17+/m0/s1
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 18n/an/an/a 31n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101504
PNG
(US8524699, 91 | US8524710, 82 | US8530652, 31)
Show SMILES Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2ccsc2n1 |r|
Show InChI InChI=1S/C24H25N7OS/c1-13-25-20(15-9-10-33-22(15)26-13)28-21-17-12-31(24(2,3)19(17)29-30-21)23(32)27-18-11-16(18)14-7-5-4-6-8-14/h4-10,16,18H,11-12H2,1-3H3,(H,27,32)(H2,25,26,28,29,30)/t16-,18+/m0/s1
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 20n/an/an/a 103n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101536
PNG
(CHEMBL3128043 | US8530494, 203 | US8530652, 114 | ...)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1
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 20n/an/an/a<3.90n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101507
PNG
(US8524710, 86 | US8530652, 34 | US8530652, 79)
Show SMILES Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)cc(n1)N1CCOCC1 |r|
Show InChI InChI=1S/C26H32N8O2/c1-16-27-21(14-22(28-16)33-9-11-36-12-10-33)30-24-19-15-34(26(2,3)23(19)31-32-24)25(35)29-20-13-18(20)17-7-5-4-6-8-17/h4-8,14,18,20H,9-13,15H2,1-3H3,(H,29,35)(H2,27,28,30,31,32)/t18-,20+/m0/s1
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 21n/an/an/a 778n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101534
PNG
(US8530494, 202 | US8530652, 112 | US8530652, 61)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ncnc4sccc34)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C24H28N8OS/c1-24(2)19-17(21(30-29-19)28-20-16-10-11-34-22(16)26-14-25-20)12-32(24)23(33)27-18(13-31(3)4)15-8-6-5-7-9-15/h5-11,14,18H,12-13H2,1-4H3,(H,27,33)(H2,25,26,28,29,30)/t18-/m1/s1
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 22n/an/an/a 19n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101514
PNG
(US8524699, 22 | US8530652, 41 | US8530652, 86)
Show SMILES Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)c2sccc2n1 |r|
Show InChI InChI=1S/C24H25N7OS/c1-13-25-17-9-10-33-19(17)22(26-13)28-21-16-12-31(24(2,3)20(16)29-30-21)23(32)27-18-11-15(18)14-7-5-4-6-8-14/h4-10,15,18H,11-12H2,1-3H3,(H,27,32)(H2,25,26,28,29,30)/t15-,18+/m1/s1
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 24n/an/an/a 147n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101518
PNG
(US8524699, 46 | US8530652, 45 | US8530652, 90)
Show SMILES CC1(C)N(Cc2c(Nc3nc(nc4ccsc34)C(F)(F)F)[nH]nc12)C(=O)N[C@@H]1C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C24H22F3N7OS/c1-23(2)18-14(11-34(23)22(35)29-16-10-13(16)12-6-4-3-5-7-12)19(33-32-18)30-20-17-15(8-9-36-17)28-21(31-20)24(25,26)27/h3-9,13,16H,10-11H2,1-2H3,(H,29,35)(H2,28,30,31,32,33)/t13-,16+/m0/s1
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 25n/an/an/a 32n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50389113
PNG
(CHEMBL2064558)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H30N6O2/c1-25(2)21-19(22(29-28-21)27-23(32)18-13-9-6-10-14-18)15-31(25)24(33)26-20(16-30(3)4)17-11-7-5-8-12-17/h5-14,20H,15-16H2,1-4H3,(H,26,33)(H2,27,28,29,32)/t20-/m1/s1
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 30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4

J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
BindingDB Entry DOI: 10.7270/Q2BZ673W
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50065621
PNG
(CHEMBL94688 | [(S)-1-((S)-1-{(S)-3-Carbamoyl-1-[2-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)\C=C1/CCCOC1=O
Show InChI InChI=1S/C33H42N4O7/c1-22(2)18-27(37-33(42)44-21-24-12-7-4-8-13-24)31(40)36-28(19-23-10-5-3-6-11-23)30(39)35-26(15-16-29(34)38)20-25-14-9-17-43-32(25)41/h3-8,10-13,20,22,26-28H,9,14-19,21H2,1-2H3,(H2,34,38)(H,35,39)(H,36,40)(H,37,42)/b25-20+/t26-,27-,28-/m0/s1
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 30n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Catalytic rate constant (Kobs/[I]) of the compound was evaluated against human rhinovirus (HRV) serotype 14 3C Protease (3CP)

J Med Chem 41: 2806-18 (1998)


Article DOI: 10.1021/jm980068d
BindingDB Entry DOI: 10.7270/Q29G5KZQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM50389120
PNG
(CHEMBL2064565)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccn3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C24H28N6O3/c1-24(2)20-17(21(28-27-20)26-22(31)18-12-8-9-13-25-18)14-30(24)23(32)33-19(15-29(3)4)16-10-6-5-7-11-16/h5-13,19H,14-15H2,1-4H3,(H2,26,27,28,31)/t19-/m1/s1
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 31n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4

J Med Chem 55: 4728-39 (2012)


Article DOI: 10.1021/jm300204j
BindingDB Entry DOI: 10.7270/Q2BZ673W
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM34013
PNG
(3-methylphenylalanine derivative, 22a)
Show SMILES Cc1cccc(C[C@H](COP(O)(O)=O)NC(=O)c2ccc3ccccc3c2)c1 |r|
Show InChI InChI=1S/C21H22NO5P/c1-15-5-4-6-16(11-15)12-20(14-27-28(24,25)26)22-21(23)19-10-9-17-7-2-3-8-18(17)13-19/h2-11,13,20H,12,14H2,1H3,(H,22,23)(H2,24,25,26)/t20-/m1/s1
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 32 -41.3n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...

Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))		BDBM101639
PNG
(US8530652, 84)
Show SMILES Cc1nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@H]2c2ccccc2)C3(C)C)c2ccccc2n1 |r|
Show InChI InChI=1S/C26H27N7O/c1-15-27-20-12-8-7-11-17(20)23(28-15)30-24-19-14-33(26(2,3)22(19)31-32-24)25(34)29-21-13-18(21)16-9-5-4-6-10-16/h4-12,18,21H,13-14H2,1-3H3,(H,29,34)(H2,27,28,30,31,32)/t18-,21?/m0/s1
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 34n/an/an/a 455n/an/an/an/a



Agouron Pharmaceuticals, Inc.; Pfizer Inc.

US Patent


Assay Description
The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an a...

US Patent US8530652 (2013)


BindingDB Entry DOI: 10.7270/Q2F18XC4
More data for this
Ligand-Target Pair
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