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Compile Data Set for Download or QSAR

Found 187 hits with Last Name = 'pollard' and Initial = 'h'   
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
HRH3


(GUINEA PIG)
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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2n/an/an/an/an/an/an/an/a



Unité 109

Curated by PDSP Ki Database




Invest Radiol -2 (1988)


Article DOI: 10.1097/00004424-198809001-00017
BindingDB Entry DOI: 10.7270/Q22R3Q5W
More data for this
Ligand-Target Pair
HRH3


(RAT)
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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2.10n/an/an/an/an/an/an/an/a



Unité 109

Curated by PDSP Ki Database




Invest Radiol -2 (1988)


Article DOI: 10.1097/00004424-198809001-00017
BindingDB Entry DOI: 10.7270/Q22R3Q5W
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM81974
PNG
(4-[2-(1-Pyrrolidinyl)ethyl]-imidazole)
Show SMILES C(Cc1cnc[nH]1)N1CCCC1
Show InChI InChI=1S/C9H15N3/c1-2-5-12(4-1)6-3-9-7-10-8-11-9/h7-8H,1-6H2,(H,10,11)
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6n/an/an/an/an/an/an/an/a



Unité 109

Curated by PDSP Ki Database




Invest Radiol -2 (1988)


Article DOI: 10.1097/00004424-198809001-00017
BindingDB Entry DOI: 10.7270/Q22R3Q5W
More data for this
Ligand-Target Pair
HRH3


(RAT)
BDBM81972
PNG
((S)-(+)-ALPHA-METHYL-1H-IMIDAZOLE-4-ETHANAMINE DIH...)
Show SMILES C[C@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m0/s1
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11n/an/an/an/an/an/an/an/a



Unité 109

Curated by PDSP Ki Database




Invest Radiol -2 (1988)


Article DOI: 10.1097/00004424-198809001-00017
BindingDB Entry DOI: 10.7270/Q22R3Q5W
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM81972
PNG
((S)-(+)-ALPHA-METHYL-1H-IMIDAZOLE-4-ETHANAMINE DIH...)
Show SMILES C[C@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m0/s1
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52n/an/an/an/an/an/an/an/a



Unité 109

Curated by PDSP Ki Database




Invest Radiol -2 (1988)


Article DOI: 10.1097/00004424-198809001-00017
BindingDB Entry DOI: 10.7270/Q22R3Q5W
More data for this
Ligand-Target Pair
HRH3


(RAT)
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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100n/an/an/an/an/an/an/an/a



Unité 109

Curated by PDSP Ki Database




Invest Radiol -2 (1988)


Article DOI: 10.1097/00004424-198809001-00017
BindingDB Entry DOI: 10.7270/Q22R3Q5W
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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100n/an/an/an/an/an/an/an/a



Unité 109

Curated by PDSP Ki Database




Invest Radiol -2 (1988)


Article DOI: 10.1097/00004424-198809001-00017
BindingDB Entry DOI: 10.7270/Q22R3Q5W
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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813n/an/an/an/an/an/an/an/a



Unité 109

Curated by PDSP Ki Database




Invest Radiol -2 (1988)


Article DOI: 10.1097/00004424-198809001-00017
BindingDB Entry DOI: 10.7270/Q22R3Q5W
More data for this
Ligand-Target Pair
HRH3


(RAT)
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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1.06E+3n/an/an/an/an/an/an/an/a



Unité 109

Curated by PDSP Ki Database




Invest Radiol -2 (1988)


Article DOI: 10.1097/00004424-198809001-00017
BindingDB Entry DOI: 10.7270/Q22R3Q5W
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50335201
PNG
(5-Chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...)
Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of TrkA


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335202
PNG
(5-Chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...)
Show SMILES COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1 |r|
Show InChI InChI=1S/C14H14ClFN8O/c1-7(12-17-4-8(16)5-18-12)20-14-19-6-9(15)13(22-14)21-10-3-11(25-2)24-23-10/h3-7H,1-2H3,(H3,19,20,21,22,23,24)/t7-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using Km ATP concentration


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335203
PNG
(CHEMBL1650698 | N4-(5-Cyclopropyl-1H-pyrazol-3-yl)...)
Show SMILES C[C@H](Nc1ncc(F)c(Nc2cc(n[nH]2)C2CC2)n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C16H16F2N8/c1-8(14-19-5-10(17)6-20-14)22-16-21-7-11(18)15(24-16)23-13-4-12(25-26-13)9-2-3-9/h4-9H,2-3H2,1H3,(H3,21,22,23,24,25,26)/t8-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using Km ATP concentration


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50387299
PNG
(CHEMBL2048873)
Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccncc1 |r,w:9.9,c:14|
Show InChI InChI=1S/C20H20N4O2S/c21-15-4-2-10-24(12-15)18-14(11-17-19(25)23-20(26)27-17)3-1-5-16(18)13-6-8-22-9-7-13/h1,3,5-9,11,15H,2,4,10,12,21H2,(H,23,25,26)/t15-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50387299
PNG
(CHEMBL2048873)
Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccncc1 |r,w:9.9,c:14|
Show InChI InChI=1S/C20H20N4O2S/c21-15-4-2-10-24(12-15)18-14(11-17-19(25)23-20(26)27-17)3-1-5-16(18)13-6-8-22-9-7-13/h1,3,5-9,11,15H,2,4,10,12,21H2,(H,23,25,26)/t15-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 5 mM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335209
PNG
(5-fluoro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...)
Show SMILES COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)c2F)[nH]n1 |r|
Show InChI InChI=1S/C18H21F2N9O2/c1-10(15-21-8-11(19)9-22-15)23-18-25-16(24-12-7-13(30-2)28-27-12)14(20)17(26-18)29-3-5-31-6-4-29/h7-10H,3-6H2,1-2H3,(H3,23,24,25,26,27,28)/t10-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using Km ATP concentration


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335212
PNG
(CHEMBL1650725 | N2-[(1S)-1-(5-fluoropyrimidin-2-yl...)
Show SMILES C[C@H](Nc1ncc(C)c(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C15H17FN8/c1-8-5-19-15(20-10(3)14-17-6-11(16)7-18-14)22-13(8)21-12-4-9(2)23-24-12/h4-7,10H,1-3H3,(H3,19,20,21,22,23,24)/t10-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM of ATP


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335210
PNG
(5-chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...)
Show SMILES COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)c2Cl)[nH]n1 |r|
Show InChI InChI=1S/C18H21ClFN9O2/c1-10(15-21-8-11(20)9-22-15)23-18-25-16(24-12-7-13(30-2)28-27-12)14(19)17(26-18)29-3-5-31-6-4-29/h7-10H,3-6H2,1-2H3,(H3,23,24,25,26,27,28)/t10-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using Km ATP concentration


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335205
PNG
(5-bromo-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-...)
Show SMILES COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Br)[nH]n1 |r|
Show InChI InChI=1S/C14H14BrFN8O/c1-7(12-17-4-8(16)5-18-12)20-14-19-6-9(15)13(22-14)21-10-3-11(25-2)24-23-10/h3-7H,1-2H3,(H3,19,20,21,22,23,24)/t7-/m0/s1
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AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using Km ATP concentration


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50388788
PNG
(CHEMBL2062566)
Show SMILES CC(=O)Nc1ccc2CCN(c2c1)c1cc(NC2CC2)n2ncc(C#N)c2n1
Show InChI InChI=1S/C20H19N7O/c1-12(28)23-16-3-2-13-6-7-26(17(13)8-16)18-9-19(24-15-4-5-15)27-20(25-18)14(10-21)11-22-27/h2-3,8-9,11,15,24H,4-7H2,1H3,(H,23,28)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminus His-tagged human CK2alpha expressed in insect Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate after 20 ...


ACS Med Chem Lett 3: 278-283 (2012)


Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50388805
PNG
(CHEMBL2062571)
Show SMILES CC(=O)Nc1ccc2ccn(-c3cc(NC4COC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C20H17N7O2/c1-12(28)23-15-3-2-13-4-5-26(17(13)6-15)18-7-19(24-16-10-29-11-16)27-20(25-18)14(8-21)9-22-27/h2-7,9,16,24H,10-11H2,1H3,(H,23,28)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminus His-tagged human CK2alpha expressed in insect Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate after 20 ...


ACS Med Chem Lett 3: 278-283 (2012)


Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50387298
PNG
(CHEMBL2048872)
Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14|
Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM2 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335211
PNG
(5-Fluoro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...)
Show SMILES C[C@H](Nc1ncc(F)c(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C14H14F2N8/c1-7-3-11(24-23-7)21-13-10(16)6-19-14(22-13)20-8(2)12-17-4-9(15)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1
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AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM of ATP


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50387305
PNG
(CHEMBL2046468)
Show SMILES N[C@H]1CCN(C1)c1cc(Cl)ccc1C=C1SC(O)=NC1=O |r,w:13.14,c:19|
Show InChI InChI=1S/C14H14ClN3O2S/c15-9-2-1-8(5-12-13(19)17-14(20)21-12)11(6-9)18-4-3-10(16)7-18/h1-2,5-6,10H,3-4,7,16H2,(H,17,19,20)/t10-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50387308
PNG
(CHEMBL2048866)
Show SMILES N[C@@H]1CCCN(C1)c1c(Cl)cccc1C=C1SC(O)=NC1=O |r,w:14.15,c:20|
Show InChI InChI=1S/C15H16ClN3O2S/c16-11-5-1-3-9(7-12-14(20)18-15(21)22-12)13(11)19-6-2-4-10(17)8-19/h1,3,5,7,10H,2,4,6,8,17H2,(H,18,20,21)/t10-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM2 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50387295
PNG
(CHEMBL2048868)
Show SMILES COc1cccc(C=C2SC(O)=NC2=O)c1N1CCC[C@@H](N)C1 |r,w:7.6,c:11|
Show InChI InChI=1S/C16H19N3O3S/c1-22-12-6-2-4-10(8-13-15(20)18-16(21)23-13)14(12)19-7-3-5-11(17)9-19/h2,4,6,8,11H,3,5,7,9,17H2,1H3,(H,18,20,21)/t11-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM2 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50387294
PNG
(CHEMBL2048869)
Show SMILES CCOc1cccc(C=C2SC(O)=NC2=O)c1N1CCC[C@@H](N)C1 |r,w:8.7,c:12|
Show InChI InChI=1S/C17H21N3O3S/c1-2-23-13-7-3-5-11(9-14-16(21)19-17(22)24-14)15(13)20-8-4-6-12(18)10-20/h3,5,7,9,12H,2,4,6,8,10,18H2,1H3,(H,19,21,22)/t12-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 5 mM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50388794
PNG
(CHEMBL2062579)
Show SMILES CS(=O)(=O)Cc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C20H18N6O2S/c1-29(27,28)12-13-2-3-14-6-7-25(17(14)8-13)18-9-19(23-16-4-5-16)26-20(24-18)15(10-21)11-22-26/h2-3,6-9,11,16,23H,4-5,12H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminus His-tagged human CK2alpha expressed in insect Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate after 20 ...


ACS Med Chem Lett 3: 278-283 (2012)


Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50387296
PNG
(CHEMBL2048870)
Show SMILES CC(C)COc1cccc(C=C2SC(O)=NC2=O)c1N1CCC[C@@H](N)C1 |r,w:10.9,c:14|
Show InChI InChI=1S/C19H25N3O3S/c1-12(2)11-25-15-7-3-5-13(9-16-18(23)21-19(24)26-16)17(15)22-8-4-6-14(20)10-22/h3,5,7,9,12,14H,4,6,8,10-11,20H2,1-2H3,(H,21,23,24)/t14-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 5 mM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335209
PNG
(5-fluoro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...)
Show SMILES COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)c2F)[nH]n1 |r|
Show InChI InChI=1S/C18H21F2N9O2/c1-10(15-21-8-11(19)9-22-15)23-18-25-16(24-12-7-13(30-2)28-27-12)14(20)17(26-18)29-3-5-31-6-4-29/h7-10H,3-6H2,1-2H3,(H3,23,24,25,26,27,28)/t10-/m0/s1
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AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM of ATP


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335206
PNG
(5-chloro-N4-[5-(dimethylamino)-1H-pyrazol-3-yl]-N2...)
Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(n[nH]2)N(C)C)n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C15H17ClFN9/c1-8(13-18-5-9(17)6-19-13)21-15-20-7-10(16)14(23-15)22-11-4-12(25-24-11)26(2)3/h4-8H,1-3H3,(H3,20,21,22,23,24,25)/t8-/m0/s1
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AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using Km ATP concentration


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50387298
PNG
(CHEMBL2048872)
Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14|
Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 5 mM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50387309
PNG
(CHEMBL2048865)
Show SMILES N[C@@H]1CCCN(C1)c1ccccc1C=C1SC(O)=NC1=O |r,w:13.14,c:19|
Show InChI InChI=1S/C15H17N3O2S/c16-11-5-3-7-18(9-11)12-6-2-1-4-10(12)8-13-14(19)17-15(20)21-13/h1-2,4,6,8,11H,3,5,7,9,16H2,(H,17,19,20)/t11-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50387309
PNG
(CHEMBL2048865)
Show SMILES N[C@@H]1CCCN(C1)c1ccccc1C=C1SC(O)=NC1=O |r,w:13.14,c:19|
Show InChI InChI=1S/C15H17N3O2S/c16-11-5-3-7-18(9-11)12-6-2-1-4-10(12)8-13-14(19)17-15(20)21-13/h1-2,4,6,8,11H,3,5,7,9,16H2,(H,17,19,20)/t11-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335215
PNG
((S)-5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(Cl)c(n1)N1CCOCC1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C18H21ClFN9O/c1-10-7-13(28-27-10)24-16-14(19)17(29-3-5-30-6-4-29)26-18(25-16)23-11(2)15-21-8-12(20)9-22-15/h7-9,11H,3-6H2,1-2H3,(H3,23,24,25,26,27,28)/t11-/m0/s1
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AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM of ATP


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335214
PNG
(5-bromo-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-...)
Show SMILES C[C@H](Nc1ncc(Br)c(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C14H14BrFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1
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AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM of ATP


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50387310
PNG
(CHEMBL2048867)
Show SMILES N[C@@H]1CCCN(C1)c1c(Br)cccc1C=C1SC(O)=NC1=O |r,w:14.15,c:20|
Show InChI InChI=1S/C15H16BrN3O2S/c16-11-5-1-3-9(7-12-14(20)18-15(21)22-12)13(11)19-6-2-4-10(17)8-19/h1,3,5,7,10H,2,4,6,8,17H2,(H,18,20,21)/t10-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 5 mM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50387310
PNG
(CHEMBL2048867)
Show SMILES N[C@@H]1CCCN(C1)c1c(Br)cccc1C=C1SC(O)=NC1=O |r,w:14.15,c:20|
Show InChI InChI=1S/C15H16BrN3O2S/c16-11-5-1-3-9(7-12-14(20)18-15(21)22-12)13(11)19-6-2-4-10(17)8-19/h1,3,5,7,10H,2,4,6,8,17H2,(H,18,20,21)/t10-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 5 mM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50387294
PNG
(CHEMBL2048869)
Show SMILES CCOc1cccc(C=C2SC(O)=NC2=O)c1N1CCC[C@@H](N)C1 |r,w:8.7,c:12|
Show InChI InChI=1S/C17H21N3O3S/c1-2-23-13-7-3-5-11(9-14-16(21)19-17(22)24-14)15(13)20-8-4-6-12(18)10-20/h3,5,7,9,12H,2,4,6,8,10,18H2,1H3,(H,19,21,22)/t12-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 5 mM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335208
PNG
(CHEMBL1650735 | N2-[(1S)-1-(5-fluoropyrimidin-2-yl...)
Show SMILES COc1cc(Nc2cc(nc(N[C@@H](C)c3ncc(F)cn3)n2)N2CCOCC2)[nH]n1 |r|
Show InChI InChI=1S/C18H22FN9O2/c1-11(17-20-9-12(19)10-21-17)22-18-24-13(23-14-8-16(29-2)27-26-14)7-15(25-18)28-3-5-30-6-4-28/h7-11H,3-6H2,1-2H3,(H3,22,23,24,25,26,27)/t11-/m0/s1
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AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using Km ATP concentration


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50387295
PNG
(CHEMBL2048868)
Show SMILES COc1cccc(C=C2SC(O)=NC2=O)c1N1CCC[C@@H](N)C1 |r,w:7.6,c:11|
Show InChI InChI=1S/C16H19N3O3S/c1-22-12-6-2-4-10(8-13-15(20)18-16(21)23-13)14(12)19-7-3-5-11(17)9-19/h2,4,6,8,11H,3,5,7,9,17H2,1H3,(H,18,20,21)/t11-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 5 mM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50388786
PNG
(CHEMBL2062563)
Show SMILES CC(=O)Nc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C20H17N7O/c1-12(28)23-16-3-2-13-6-7-26(17(13)8-16)18-9-19(24-15-4-5-15)27-20(25-18)14(10-21)11-22-27/h2-3,6-9,11,15,24H,4-5H2,1H3,(H,23,28)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminus His-tagged human CK2alpha expressed in insect Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate after 20 ...


ACS Med Chem Lett 3: 278-283 (2012)


Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50388785
PNG
(CHEMBL2062577)
Show SMILES CN(C(C)=O)c1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C21H19N7O/c1-13(29)26(2)17-6-3-14-7-8-27(18(14)9-17)19-10-20(24-16-4-5-16)28-21(25-19)15(11-22)12-23-28/h3,6-10,12,16,24H,4-5H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminus His-tagged human CK2alpha expressed in insect Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate after 20 ...


ACS Med Chem Lett 3: 278-283 (2012)


Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50387305
PNG
(CHEMBL2046468)
Show SMILES N[C@H]1CCN(C1)c1cc(Cl)ccc1C=C1SC(O)=NC1=O |r,w:13.14,c:19|
Show InChI InChI=1S/C14H14ClN3O2S/c15-9-2-1-8(5-12-13(19)17-14(20)21-12)11(6-9)18-4-3-10(16)7-18/h1-2,5-6,10H,3-4,7,16H2,(H,17,19,20)/t10-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50387309
PNG
(CHEMBL2048865)
Show SMILES N[C@@H]1CCCN(C1)c1ccccc1C=C1SC(O)=NC1=O |r,w:13.14,c:19|
Show InChI InChI=1S/C15H17N3O2S/c16-11-5-3-7-18(9-11)12-6-2-1-4-10(12)8-13-14(19)17-15(20)21-13/h1-2,4,6,8,11H,3,5,7,9,16H2,(H,17,19,20)/t11-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM2 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50388787
PNG
(CHEMBL2062570)
Show SMILES CC(=O)Nc1ccc2ccn(-c3cc(Nc4ccn(C)n4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C21H17N9O/c1-13(31)24-16-4-3-14-5-8-29(17(14)9-16)19-10-20(25-18-6-7-28(2)27-18)30-21(26-19)15(11-22)12-23-30/h3-10,12H,1-2H3,(H,24,31)(H,25,27)
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK2alpha in human DLD-1 cells assessed as decrease in AKT phosphorylation at S129 residue after 24 hrs by ELISA


ACS Med Chem Lett 3: 278-283 (2012)


Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335207
PNG
(CHEMBL1650731 | N4-[5-(dimethylamino)-1H-pyrazol-3...)
Show SMILES C[C@H](Nc1ncc(F)c(Nc2cc(n[nH]2)N(C)C)n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C15H17F2N9/c1-8(13-18-5-9(16)6-19-13)21-15-20-7-10(17)14(23-15)22-11-4-12(25-24-11)26(2)3/h4-8H,1-3H3,(H3,20,21,22,23,24,25)/t8-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using Km ATP concentration


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50387306
PNG
(CHEMBL2048864)
Show SMILES OC1=NC(=O)C(S1)=Cc1cccc(Cl)c1N1CCNCC1 |w:7.8,t:1|
Show InChI InChI=1S/C14H14ClN3O2S/c15-10-3-1-2-9(8-11-13(19)17-14(20)21-11)12(10)18-6-4-16-5-7-18/h1-3,8,16H,4-7H2,(H,17,19,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50388792
PNG
(CHEMBL2062576)
Show SMILES CC(=O)Nc1ccc2ccn(-c3cc(NCCCN4CCCC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C24H26N8O/c1-17(33)28-20-6-5-18-7-12-31(21(18)13-20)23-14-22(26-8-4-11-30-9-2-3-10-30)32-24(29-23)19(15-25)16-27-32/h5-7,12-14,16,26H,2-4,8-11H2,1H3,(H,28,33)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminus His-tagged human CK2alpha expressed in insect Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate after 20 ...


ACS Med Chem Lett 3: 278-283 (2012)


Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50387299
PNG
(CHEMBL2048873)
Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccncc1 |r,w:9.9,c:14|
Show InChI InChI=1S/C20H20N4O2S/c21-15-4-2-10-24(12-15)18-14(11-17-19(25)23-20(26)27-17)3-1-5-16(18)13-6-8-22-9-7-13/h1,3,5-9,11,15H,2,4,10,12,21H2,(H,23,25,26)/t15-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM2 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 2 (HIPK2)


(Homo sapiens (Human))
BDBM50388783
PNG
(CHEMBL2062565)
Show SMILES CC(=O)Nc1cnc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C19H16N8O/c1-11(28)23-14-6-16-15(21-10-14)4-5-26(16)17-7-18(24-13-2-3-13)27-19(25-17)12(8-20)9-22-27/h4-7,9-10,13,24H,2-3H2,1H3,(H,23,28)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HipK2


ACS Med Chem Lett 3: 278-283 (2012)


Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS
More data for this
Ligand-Target Pair
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