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Compile Data Set for Download or QSAR

Found 507 hits with Last Name = 'block' and Initial = 'mh'   
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
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353767
PNG
(CHEMBL1829430)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116590
PNG
(CHEMBL325486 | N-(9-Methanesulfonyl-9H-carbazol-3-...)
Show SMILES CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C21H19N3O3S/c1-28(26,27)24-19-5-3-2-4-17(19)18-14-16(7-8-20(18)24)23-21(25)9-6-15-10-12-22-13-11-15/h2-5,7-8,10-14H,6,9H2,1H3,(H,23,25)
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116610
PNG
(CHEMBL119743 | N-(9-Isopropyl-9H-carbazol-3-yl)-3-...)
Show SMILES CC(C)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C23H23N3O/c1-16(2)26-21-6-4-3-5-19(21)20-15-18(8-9-22(20)26)25-23(27)10-7-17-11-13-24-14-12-17/h3-6,8-9,11-16H,7,10H2,1-2H3,(H,25,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50343726
PNG
((S)-5-fluoro-2-(1-(5-fluoropyridin-2-yl)ethylamino...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cn1
Show InChI InChI=1S/C17H15F2N7/c1-9-5-15(26-25-9)23-17-13(19)6-11(7-20)16(24-17)22-10(2)14-4-3-12(18)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human JAK2


Bioorg Med Chem Lett 21: 2958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abl


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TrkA


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353788
PNG
(CHEMBL1829433)
Show SMILES CC(C)C(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116602
PNG
(CHEMBL419951 | Morpholine-4-carboxylic acid (9-iso...)
Show SMILES CC(C)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C20H23N3O2/c1-14(2)23-18-6-4-3-5-16(18)17-13-15(7-8-19(17)23)21-20(24)22-9-11-25-12-10-22/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116619
PNG
(CHEMBL117563 | Morpholine-4-carboxylic acid (9-iso...)
Show SMILES CC(C)n1c2ccc(NC(=O)N3CCOCC3)cc2c2cccc(C)c12
Show InChI InChI=1S/C21H25N3O2/c1-14(2)24-19-8-7-16(22-21(25)23-9-11-26-12-10-23)13-18(19)17-6-4-5-15(3)20(17)24/h4-8,13-14H,9-12H2,1-3H3,(H,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116600
PNG
(CHEMBL325475 | N-(9-Ethyl-9H-carbazol-3-yl)-3-pyri...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-15-17(8-9-21(19)25)24-22(26)10-7-16-11-13-23-14-12-16/h3-6,8-9,11-15H,2,7,10H2,1H3,(H,24,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Flt3


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Fgr


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353799
PNG
(CHEMBL1829424)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)24-29-25-22(14-17-34-25)27(33)31(24)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50343726
PNG
((S)-5-fluoro-2-(1-(5-fluoropyridin-2-yl)ethylamino...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cn1
Show InChI InChI=1S/C17H15F2N7/c1-9-5-15(26-25-9)23-17-13(19)6-11(7-20)16(24-17)22-10(2)14-4-3-12(18)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human TRKA


Bioorg Med Chem Lett 21: 2958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353767
PNG
(CHEMBL1829430)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
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
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
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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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
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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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
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50001129
PNG
(CHEMBL3236390)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(C[C@H]3N2C1=O)C(=O)C(OCC#CC#CCOC(C(=O)N1CC[C@@H]2C[C@@H]3CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N3[C@@H]2C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C54H70N8O8/c1-35(55-3)49(63)57-43-23-15-21-41-31-39-25-27-59(33-45(39)61(41)51(43)65)53(67)47(37-17-9-7-10-18-37)69-29-13-5-6-14-30-70-48(38-19-11-8-12-20-38)54(68)60-28-26-40-32-42-22-16-24-44(58-50(64)36(2)56-4)52(66)62(42)46(40)34-60/h7-12,17-20,35-36,39-48,55-56H,15-16,21-34H2,1-4H3,(H,57,63)(H,58,64)/t35-,36-,39+,40+,41-,42-,43-,44-,45+,46+,47?,48?/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 1820-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50001129
PNG
(CHEMBL3236390)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(C[C@H]3N2C1=O)C(=O)C(OCC#CC#CCOC(C(=O)N1CC[C@@H]2C[C@@H]3CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N3[C@@H]2C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C54H70N8O8/c1-35(55-3)49(63)57-43-23-15-21-41-31-39-25-27-59(33-45(39)61(41)51(43)65)53(67)47(37-17-9-7-10-18-37)69-29-13-5-6-14-30-70-48(38-19-11-8-12-20-38)54(68)60-28-26-40-32-42-22-16-24-44(58-50(64)36(2)56-4)52(66)62(42)46(40)34-60/h7-12,17-20,35-36,39-48,55-56H,15-16,21-34H2,1-4H3,(H,57,63)(H,58,64)/t35-,36-,39+,40+,41-,42-,43-,44-,45+,46+,47?,48?/m0/s1
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 1820-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50343727
PNG
((S)-5-chloro-2-(1-(5-fluoropyridin-2-yl)ethylamino...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(Cl)cc1C#N)c1ccc(F)cn1
Show InChI InChI=1S/C17H15ClFN7/c1-9-5-15(26-25-9)23-17-13(18)6-11(7-20)16(24-17)22-10(2)14-4-3-12(19)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 after 60 min


Bioorg Med Chem Lett 21: 2958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50343726
PNG
((S)-5-fluoro-2-(1-(5-fluoropyridin-2-yl)ethylamino...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cn1
Show InChI InChI=1S/C17H15F2N7/c1-9-5-15(26-25-9)23-17-13(19)6-11(7-20)16(24-17)22-10(2)14-4-3-12(18)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 after 60 min


Bioorg Med Chem Lett 21: 2958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50343725
PNG
((S)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cc1
Show InChI InChI=1S/C18H16F2N6/c1-10-7-16(26-25-10)23-18-15(20)8-13(9-21)17(24-18)22-11(2)12-3-5-14(19)6-4-12/h3-8,11H,1-2H3,(H3,22,23,24,25,26)/t11-/m0/s1
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 after 60 min


Bioorg Med Chem Lett 21: 2958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116592
PNG
(CHEMBL325226 | Morpholine-4-carboxylic acid (9-iso...)
Show SMILES CC(C)n1c2ccccc2c2c(C)c(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C21H25N3O2/c1-14(2)24-18-7-5-4-6-16(18)20-15(3)17(8-9-19(20)24)22-21(25)23-10-12-26-13-11-23/h4-9,14H,10-13H2,1-3H3,(H,22,25)
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116605
PNG
(CHEMBL432628 | Morpholine-4-carboxylic acid (6-flu...)
Show SMILES CC(C)n1c2ccc(F)cc2c2cc(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C20H22FN3O2/c1-13(2)24-18-5-3-14(21)11-16(18)17-12-15(4-6-19(17)24)22-20(25)23-7-9-26-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,22,25)
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116617
PNG
(CHEMBL116210 | N-(9-Acetyl-9H-carbazol-3-yl)-3-pyr...)
Show SMILES CC(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C22H19N3O2/c1-15(26)25-20-5-3-2-4-18(20)19-14-17(7-8-21(19)25)24-22(27)9-6-16-10-12-23-13-11-16/h2-5,7-8,10-14H,6,9H2,1H3,(H,24,27)
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50343723
PNG
((S)-6-(5-cyclopropyl-1H-pyrazol-3-ylamino)-5-fluor...)
Show SMILES C[C@H](Nc1nc(Nc2cc(n[nH]2)C2CC2)c(F)cc1C#N)c1ccc(F)cc1
Show InChI InChI=1S/C20H18F2N6/c1-11(12-4-6-15(21)7-5-12)24-19-14(10-23)8-16(22)20(26-19)25-18-9-17(27-28-18)13-2-3-13/h4-9,11,13H,2-3H2,1H3,(H3,24,25,26,27,28)/t11-/m0/s1
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 after 60 min


Bioorg Med Chem Lett 21: 2958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BTK


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
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
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


(Homo sapiens (Human))
BDBM50387299
PNG
(CHEMBL2048873)
Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccncc1
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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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))
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
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))
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
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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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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50001129
PNG
(CHEMBL3236390)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(C[C@H]3N2C1=O)C(=O)C(OCC#CC#CCOC(C(=O)N1CC[C@@H]2C[C@@H]3CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N3[C@@H]2C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C54H70N8O8/c1-35(55-3)49(63)57-43-23-15-21-41-31-39-25-27-59(33-45(39)61(41)51(43)65)53(67)47(37-17-9-7-10-18-37)69-29-13-5-6-14-30-70-48(38-19-11-8-12-20-38)54(68)60-28-26-40-32-42-22-16-24-44(58-50(64)36(2)56-4)52(66)62(42)46(40)34-60/h7-12,17-20,35-36,39-48,55-56H,15-16,21-34H2,1-4H3,(H,57,63)(H,58,64)/t35-,36-,39+,40+,41-,42-,43-,44-,45+,46+,47?,48?/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 1820-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7
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
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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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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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
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
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 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-2


(Homo sapiens (Human))
BDBM50387308
PNG
(CHEMBL2048866)
Show SMILES N[C@@H]1CCCN(C1)c1c(Cl)cccc1C=C1SC(O)=NC1=O
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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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
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
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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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
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
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 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))
BDBM50387305
PNG
(CHEMBL2046468)
Show SMILES N[C@H]1CCN(C1)c1cc(Cl)ccc1C=C1SC(O)=NC1=O
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 5n/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
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
BindingDB Entry DOI: 10.7270/Q2222TMP
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353820
PNG
(CHEMBL1829432)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2c(C)nsc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)25-29-23-19(3)30-35-24(23)27(34)32(25)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
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
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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n/an/a 5n/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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
BindingDB Entry DOI: 10.7270/Q2222TMP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK1


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of SIK


ACS Med Chem Lett 3: 705-709 (2012)


Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G
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
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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n/an/a 6n/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 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))
BDBM50437435
PNG
(CHEMBL2409173)
Show SMILES CC(=O)N1CCc2ccc(Nc3cc(NC4CC4)n4ncc(C#N)c4n3)cc12
Show InChI InChI=1S/C20H19N7O/c1-12(28)26-7-6-13-2-3-16(8-17(13)26)23-18-9-19(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,23,25)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6X-tagged recombinant human full length casein kinase-2alpha expressed in SF21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as ...


ACS Med Chem Lett 4: 800-5 (2013)


Article DOI: 10.1021/ml400197u
BindingDB Entry DOI: 10.7270/Q20R9QT2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116592
PNG
(CHEMBL325226 | Morpholine-4-carboxylic acid (9-iso...)
Show SMILES CC(C)n1c2ccccc2c2c(C)c(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C21H25N3O2/c1-14(2)24-18-7-5-4-6-16(18)20-15(3)17(8-9-19(20)24)22-21(25)23-10-12-26-13-11-23/h4-9,14H,10-13H2,1-3H3,(H,22,25)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Compound was evaluated for functional antagonism of Neuropeptide Y receptor Y5 activity in cellular Ca flux


J Med Chem 45: 3509-23 (2002)


Article DOI: 10.1021/jm011125x
BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24705
PNG
(4-aminopyrazolylpyrimidine analogue, 10k | 5-bromo...)
Show SMILES C[C@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C18H18BrFN6/c1-10(11-4-6-13(20)7-5-11)22-18-21-9-14(19)17(24-18)23-16-8-15(25-26-16)12-2-3-12/h4-10,12H,2-3H2,1H3,(H3,21,22,23,24,25,26)/t10-/m0/s1
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n/an/a 6n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
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