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Compile Data Set for Download or QSAR

Found 117 hits with Last Name = 'masters' and Initial = 'dj'   
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
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
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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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
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))
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))
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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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))
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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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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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3532
PNG
(CHEMBL540068 | CHEMBL7917 | N-(3-chlorophenyl)-6,7...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
Show InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against Epidermal growth factor receptor tyrosine kinase activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
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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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
NPY5R


(Rat 6B)
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 against rat Neuropeptide Y receptor Y5


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))
BDBM50116597
PNG
(CHEMBL119247 | Morpholine-4-carboxylic acid (9-eth...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C19H21N3O2/c1-2-22-17-6-4-3-5-15(17)16-13-14(7-8-18(16)22)20-19(23)21-9-11-24-12-10-21/h3-8,13H,2,9-12H2,1H3,(H,20,23)
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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))
BDBM50116608
PNG
(CHEMBL117922 | N-(9-Dimethylsulfamoyl-9H-carbazol-...)
Show SMILES CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C22H22N4O3S/c1-25(2)30(28,29)26-20-6-4-3-5-18(20)19-15-17(8-9-21(19)26)24-22(27)10-7-16-11-13-23-14-12-16/h3-6,8-9,11-15H,7,10H2,1-2H3,(H,24,27)
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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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153861
PNG
(3-Fluoro-N-[4-methyl-3-(2-methylsulfanyl-pyrimidin...)
Show SMILES CSc1nccc(Nc2cc(NC(=O)c3cc(F)cc(c3)N3CCOCC3)ccc2C)n1
Show InChI InChI=1S/C23H24FN5O2S/c1-15-3-4-18(14-20(15)27-21-5-6-25-23(28-21)32-2)26-22(30)16-11-17(24)13-19(12-16)29-7-9-31-10-8-29/h3-6,11-14H,7-10H2,1-2H3,(H,26,30)(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153821
PNG
(3-Fluoro-N-{4-methyl-3-[4-(pyridin-4-ylmethoxy)-be...)
Show SMILES Cc1ccc(NC(=O)c2cc(F)cc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccncc2)cc1
Show InChI InChI=1S/C31H29FN4O4/c1-21-2-5-26(34-31(38)24-16-25(32)18-27(17-24)36-12-14-39-15-13-36)19-29(21)35-30(37)23-3-6-28(7-4-23)40-20-22-8-10-33-11-9-22/h2-11,16-19H,12-15,20H2,1H3,(H,34,38)(H,35,37)
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AstraZeneca

Curated by ChEMBL


Assay Description
Concentration required to inhibit human mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5383-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.006
BindingDB Entry DOI: 10.7270/Q28G8K57
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153858
PNG
(CHEMBL185328 | N-[3-(2-Chloro-pyrimidin-4-ylamino)...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1Nc1ccnc(Cl)n1
Show InChI InChI=1S/C21H21ClN6O2/c1-14-2-3-16(13-17(14)26-18-5-7-24-21(22)27-18)25-20(29)15-4-6-23-19(12-15)28-8-10-30-11-9-28/h2-7,12-13H,8-11H2,1H3,(H,25,29)(H,24,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153848
PNG
(CHEMBL184012 | N-{4-Methyl-3-[4-(pyridin-2-ylmetho...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C30H29N5O4/c1-21-5-8-24(33-30(37)23-11-13-32-28(18-23)35-14-16-38-17-15-35)19-27(21)34-29(36)22-6-9-26(10-7-22)39-20-25-4-2-3-12-31-25/h2-13,18-19H,14-17,20H2,1H3,(H,33,37)(H,34,36)
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AstraZeneca

Curated by ChEMBL


Assay Description
Concentration required to inhibit human mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5383-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.006
BindingDB Entry DOI: 10.7270/Q28G8K57
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153832
PNG
(3-Fluoro-N-{4-methyl-3-[4-(thiazol-4-ylmethoxy)-be...)
Show SMILES Cc1ccc(NC(=O)c2cc(F)cc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2cscn2)cc1
Show InChI InChI=1S/C29H27FN4O4S/c1-19-2-5-23(32-29(36)21-12-22(30)14-25(13-21)34-8-10-37-11-9-34)15-27(19)33-28(35)20-3-6-26(7-4-20)38-16-24-17-39-18-31-24/h2-7,12-15,17-18H,8-11,16H2,1H3,(H,32,36)(H,33,35)
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AstraZeneca

Curated by ChEMBL


Assay Description
Concentration required to inhibit human mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5383-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.006
BindingDB Entry DOI: 10.7270/Q28G8K57
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153846
PNG
(4-methyl-1-[3-(1,4-oxazinan-4-yl)phenylcarboxamido...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2cscn2)cc1
Show InChI InChI=1S/C29H28N4O4S/c1-20-5-8-23(31-29(35)22-3-2-4-25(15-22)33-11-13-36-14-12-33)16-27(20)32-28(34)21-6-9-26(10-7-21)37-17-24-18-38-19-30-24/h2-10,15-16,18-19H,11-14,17H2,1H3,(H,31,35)(H,32,34)
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AstraZeneca

Curated by ChEMBL


Assay Description
Concentration required to inhibit human mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5383-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.006
BindingDB Entry DOI: 10.7270/Q28G8K57
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153870
PNG
(CHEMBL184052 | N-[3-(6,7-Dimethoxy-quinazolin-4-yl...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4cccc(c4)N4CCOCC4)ccc3C)c2cc1OC
Show InChI InChI=1S/C28H29N5O4/c1-18-7-8-20(31-28(34)19-5-4-6-21(13-19)33-9-11-37-12-10-33)14-23(18)32-27-22-15-25(35-2)26(36-3)16-24(22)29-17-30-27/h4-8,13-17H,9-12H2,1-3H3,(H,31,34)(H,29,30,32)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
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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n/an/a 11n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for human Neuropeptide Y receptor Y5 functional antagonism (reporter gene assay)


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))
BDBM50116607
PNG
(CHEMBL325639 | Morpholine-4-carboxylic acid (2,4-d...)
Show SMILES CC(C)n1c2ccccc2c2c(F)c(NC(=O)N3CCOCC3)c(F)cc12
Show InChI InChI=1S/C20H21F2N3O2/c1-12(2)25-15-6-4-3-5-13(15)17-16(25)11-14(21)19(18(17)22)23-20(26)24-7-9-27-10-8-24/h3-6,11-12H,7-10H2,1-2H3,(H,23,26)
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n/an/a 12n/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))
BDBM50116603
PNG
(CHEMBL443809 | Morpholine-4-carboxylic acid (9-met...)
Show SMILES CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C18H19N3O4S/c1-26(23,24)21-16-5-3-2-4-14(16)15-12-13(6-7-17(15)21)19-18(22)20-8-10-25-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,22)
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n/an/a 15n/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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153845
PNG
(4-methyl-3-[4-(2-methyl-1,3-thiazol-4-ylmethoxy)ph...)
Show SMILES Cc1nc(COc2ccc(cc2)C(=O)Nc2cc(NC(=O)c3cccc(c3)N3CCOCC3)ccc2C)cs1
Show InChI InChI=1S/C30H30N4O4S/c1-20-6-9-24(32-30(36)23-4-3-5-26(16-23)34-12-14-37-15-13-34)17-28(20)33-29(35)22-7-10-27(11-8-22)38-18-25-19-39-21(2)31-25/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,32,36)(H,33,35)
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Concentration required to inhibit human mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5383-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.006
BindingDB Entry DOI: 10.7270/Q28G8K57
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153865
PNG
(CHEMBL184271 | N-{3-[7-Methoxy-6-(2-morpholin-4-yl...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN1CCOCC1
Show InChI InChI=1S/C32H37N7O5/c1-22-3-4-24(36-32(40)23-5-6-33-30(17-23)39-10-14-43-15-11-39)18-26(22)37-31-25-19-29(28(41-2)20-27(25)34-21-35-31)44-16-9-38-7-12-42-13-8-38/h3-6,17-21H,7-16H2,1-2H3,(H,36,40)(H,34,35,37)
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Concentration required to inhibit human mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5383-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.006
BindingDB Entry DOI: 10.7270/Q28G8K57
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153833
PNG
(CHEMBL365688 | N-{4-Methyl-3-[4-(pyridin-2-ylmetho...)
Show SMILES Cc1ccc(NC(=O)c2cc(cc(c2)C(F)(F)F)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C32H29F3N4O4/c1-21-5-8-25(37-31(41)23-16-24(32(33,34)35)18-27(17-23)39-12-14-42-15-13-39)19-29(21)38-30(40)22-6-9-28(10-7-22)43-20-26-4-2-3-11-36-26/h2-11,16-19H,12-15,20H2,1H3,(H,37,41)(H,38,40)
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Concentration required to inhibit human mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5383-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.006
BindingDB Entry DOI: 10.7270/Q28G8K57
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153840
PNG
(4-methyl-1-[3-(1,4-oxazinan-4-yl)phenylcarboxamido...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccncc2)cc1
Show InChI InChI=1S/C31H30N4O4/c1-22-5-8-26(33-31(37)25-3-2-4-27(19-25)35-15-17-38-18-16-35)20-29(22)34-30(36)24-6-9-28(10-7-24)39-21-23-11-13-32-14-12-23/h2-14,19-20H,15-18,21H2,1H3,(H,33,37)(H,34,36)
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Concentration required to inhibit human mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5383-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.006
BindingDB Entry DOI: 10.7270/Q28G8K57
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153847
PNG
(3-Fluoro-N-{4-methyl-3-[4-(pyridin-2-ylmethoxy)-be...)
Show SMILES Cc1ccc(NC(=O)c2cc(F)cc(c2)N2CCCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C31H29FN4O3/c1-21-7-10-25(34-31(38)23-16-24(32)18-27(17-23)36-14-4-5-15-36)19-29(21)35-30(37)22-8-11-28(12-9-22)39-20-26-6-2-3-13-33-26/h2-3,6-13,16-19H,4-5,14-15,20H2,1H3,(H,34,38)(H,35,37)
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Concentration required to inhibit human mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5383-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.006
BindingDB Entry DOI: 10.7270/Q28G8K57
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153826
PNG
(3-(4-benzyloxyphenylcarboxamido)-4-methyl-1-[3-(1,...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C32H31N3O4/c1-23-10-13-27(33-32(37)26-8-5-9-28(20-26)35-16-18-38-19-17-35)21-30(23)34-31(36)25-11-14-29(15-12-25)39-22-24-6-3-2-4-7-24/h2-15,20-21H,16-19,22H2,1H3,(H,33,37)(H,34,36)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Concentration required to inhibit human mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5383-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.006
BindingDB Entry DOI: 10.7270/Q28G8K57
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153859
PNG
(CHEMBL184659 | N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN1CCCC1
Show InChI InChI=1S/C32H37N7O4/c1-22-5-6-24(36-32(40)23-7-8-33-30(17-23)39-12-14-42-15-13-39)18-26(22)37-31-25-19-29(43-16-11-38-9-3-4-10-38)28(41-2)20-27(25)34-21-35-31/h5-8,17-21H,3-4,9-16H2,1-2H3,(H,36,40)(H,34,35,37)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153829
PNG
(4-methyl-1-[3-(1,4-oxazinan-4-yl)phenylcarboxamido...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C31H30N4O4/c1-22-8-11-25(33-31(37)24-5-4-7-27(19-24)35-15-17-38-18-16-35)20-29(22)34-30(36)23-9-12-28(13-10-23)39-21-26-6-2-3-14-32-26/h2-14,19-20H,15-18,21H2,1H3,(H,33,37)(H,34,36)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Concentration required to inhibit human mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5383-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.006
BindingDB Entry DOI: 10.7270/Q28G8K57
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153880
PNG
(CHEMBL364576 | N-[3-(6,7-Dimethoxy-quinazolin-4-yl...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4cccc(c4)N(C)C)ccc3C)c2cc1OC
Show InChI InChI=1S/C26H27N5O3/c1-16-9-10-18(29-26(32)17-7-6-8-19(11-17)31(2)3)12-21(16)30-25-20-13-23(33-4)24(34-5)14-22(20)27-15-28-25/h6-15H,1-5H3,(H,29,32)(H,27,28,30)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153871
PNG
(CHEMBL365614 | N-{4-Methyl-3-[2-(1-methyl-piperidi...)
Show SMILES CN1CCCC(COc2nccc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)n2)C1
Show InChI InChI=1S/C28H35N7O3/c1-20-5-6-23(31-27(36)22-7-9-29-26(16-22)35-12-14-37-15-13-35)17-24(20)32-25-8-10-30-28(33-25)38-19-21-4-3-11-34(2)18-21/h5-10,16-17,21H,3-4,11-15,18-19H2,1-2H3,(H,31,36)(H,30,32,33)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153876
PNG
(CHEMBL188114 | N-{3-[6-(2-Dimethylamino-ethoxy)-7-...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN(C)C
Show InChI InChI=1S/C30H35N7O4/c1-20-5-6-22(34-30(38)21-7-8-31-28(15-21)37-10-12-40-13-11-37)16-24(20)35-29-23-17-27(41-14-9-36(2)3)26(39-4)18-25(23)32-19-33-29/h5-8,15-19H,9-14H2,1-4H3,(H,34,38)(H,32,33,35)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153857
PNG
(CHEMBL186665 | N-{3-[2-(3-Dimethylamino-propoxy)-p...)
Show SMILES CN(C)CCCOc1nccc(Nc2cc(NC(=O)c3ccnc(c3)N3CCOCC3)ccc2C)n1
Show InChI InChI=1S/C26H33N7O3/c1-19-5-6-21(29-25(34)20-7-9-27-24(17-20)33-12-15-35-16-13-33)18-22(19)30-23-8-10-28-26(31-23)36-14-4-11-32(2)3/h5-10,17-18H,4,11-16H2,1-3H3,(H,29,34)(H,28,30,31)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116612
PNG
(CHEMBL118973 | N-(9-Methyl-9H-carbazol-3-yl)-3-pyr...)
Show SMILES Cn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C21H19N3O/c1-24-19-5-3-2-4-17(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 33n/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))
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 37n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for: human Neuropeptide Y receptor Y5 functional antagonism


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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153874
PNG
(CHEMBL187007 | N-[4-Chloro-3-(6,7-dimethoxy-quinaz...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4cccc(c4)N(C)C)ccc3Cl)c2cc1OC
Show InChI InChI=1S/C25H24ClN5O3/c1-31(2)17-7-5-6-15(10-17)25(32)29-16-8-9-19(26)21(11-16)30-24-18-12-22(33-3)23(34-4)13-20(18)27-14-28-24/h5-14H,1-4H3,(H,29,32)(H,27,28,30)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50116618
PNG
(CHEMBL324028 | Morpholine-4-carboxylic acid [9-(te...)
Show SMILES O=C(Nc1ccc2n(C3CCOC3)c3ccccc3c2c1)N1CCOCC1
Show InChI InChI=1S/C21H23N3O3/c25-21(23-8-11-26-12-9-23)22-15-5-6-20-18(13-15)17-3-1-2-4-19(17)24(20)16-7-10-27-14-16/h1-6,13,16H,7-12,14H2,(H,22,25)
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n/an/a 40n/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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153875
PNG
(CHEMBL361431 | N-{4-Methyl-3-[2-(1-propyl-piperidi...)
Show SMILES CCCN1CCC(CC1)Oc1nccc(Nc2cc(NC(=O)c3cccc(c3)N3CCOCC3)ccc2C)n1
Show InChI InChI=1S/C30H38N6O3/c1-3-13-35-14-10-26(11-15-35)39-30-31-12-9-28(34-30)33-27-21-24(8-7-22(27)2)32-29(37)23-5-4-6-25(20-23)36-16-18-38-19-17-36/h4-9,12,20-21,26H,3,10-11,13-19H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153852
PNG
(CHEMBL185315 | N-(4-methyl-3-(2-(1-methylpiperidin...)
Show SMILES CN1CCC(CC1)Oc1nccc(Nc2cc(NC(=O)c3ccnc(c3)N3CCOCC3)ccc2C)n1
Show InChI InChI=1S/C27H33N7O3/c1-19-3-4-21(30-26(35)20-5-9-28-25(17-20)34-13-15-36-16-14-34)18-23(19)31-24-6-10-29-27(32-24)37-22-7-11-33(2)12-8-22/h3-6,9-10,17-18,22H,7-8,11-16H2,1-2H3,(H,30,35)(H,29,31,32)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153867
PNG
(CHEMBL184725 | N-{4-Methyl-3-[2-(1-propyl-piperidi...)
Show SMILES CCCN1CCC(CC1)Oc1nccc(Nc2cc(NC(=O)c3ccnc(c3)N3CCOCC3)ccc2C)n1
Show InChI InChI=1S/C29H37N7O3/c1-3-12-35-13-8-24(9-14-35)39-29-31-11-7-26(34-29)33-25-20-23(5-4-21(25)2)32-28(37)22-6-10-30-27(19-22)36-15-17-38-18-16-36/h4-7,10-11,19-20,24H,3,8-9,12-18H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153853
PNG
(CHEMBL188167 | N-{3-[7-Methoxy-6-(2-piperidin-1-yl...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN1CCCCC1
Show InChI InChI=1S/C33H39N7O4/c1-23-6-7-25(37-33(41)24-8-9-34-31(18-24)40-13-15-43-16-14-40)19-27(23)38-32-26-20-30(29(42-2)21-28(26)35-22-36-32)44-17-12-39-10-4-3-5-11-39/h6-9,18-22H,3-5,10-17H2,1-2H3,(H,37,41)(H,35,36,38)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153825
PNG
(1-(3-dimethylaminophenylcarboxamido)-4-methyl-3-[4...)
Show SMILES CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(OCc3ccccn3)cc2)c1
Show InChI InChI=1S/C29H28N4O3/c1-20-10-13-23(31-29(35)22-7-6-9-25(17-22)33(2)3)18-27(20)32-28(34)21-11-14-26(15-12-21)36-19-24-8-4-5-16-30-24/h4-18H,19H2,1-3H3,(H,31,35)(H,32,34)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Concentration required to inhibit human mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5383-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.006
BindingDB Entry DOI: 10.7270/Q28G8K57
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153830
PNG
(CHEMBL187378 | N-[5-(3-Dimethylamino-benzoylamino)...)
Show SMILES CCOc1ccc(cc1OCC)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C
Show InChI InChI=1S/C27H31N3O4/c1-6-33-24-14-12-20(16-25(24)34-7-2)27(32)29-23-17-21(13-11-18(23)3)28-26(31)19-9-8-10-22(15-19)30(4)5/h8-17H,6-7H2,1-5H3,(H,28,31)(H,29,32)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Concentration required to inhibit human mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5383-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.006
BindingDB Entry DOI: 10.7270/Q28G8K57
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153879
PNG
(CHEMBL426969 | N-{4-Methyl-3-[2-(3-pyrrolidin-1-yl...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1Nc1ccnc(NCCCN2CCCC2)n1
Show InChI InChI=1S/C28H36N8O2/c1-21-5-6-23(32-27(37)22-7-10-29-26(19-22)36-15-17-38-18-16-36)20-24(21)33-25-8-11-31-28(34-25)30-9-4-14-35-12-2-3-13-35/h5-8,10-11,19-20H,2-4,9,12-18H2,1H3,(H,32,37)(H2,30,31,33,34)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153884
PNG
(CHEMBL363462 | N-{3-[6-(2-Diisopropylamino-ethoxy)...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN(C(C)C)C(C)C
Show InChI InChI=1S/C34H43N7O4/c1-22(2)41(23(3)4)13-16-45-31-19-27-29(20-30(31)43-6)36-21-37-33(27)39-28-18-26(8-7-24(28)5)38-34(42)25-9-10-35-32(17-25)40-11-14-44-15-12-40/h7-10,17-23H,11-16H2,1-6H3,(H,38,42)(H,36,37,39)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153878
PNG
(CHEMBL186580 | N-[5-(6,7-Dimethoxy-quinazolin-4-yl...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4ccccc4)c(F)cc3F)c2cc1OC
Show InChI InChI=1S/C23H18F2N4O3/c1-31-20-8-14-17(11-21(20)32-2)26-12-27-22(14)28-18-10-19(16(25)9-15(18)24)29-23(30)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,29,30)(H,26,27,28)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
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