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Compile Data Set for Download or QSAR

Found 1319 hits with Last Name = 'hsieh' and Initial = 'f'   
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
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344100
PNG
(2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-2-piper...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C29H38N4O4S/c1-21-8-11-24(12-9-21)38(36,37)33-17-14-30-29(35)27(33)19-28(34)31-26-7-5-6-23-18-22(10-13-25(23)26)20-32-15-3-2-4-16-32/h8-13,18,26-27H,2-7,14-17,19-20H2,1H3,(H,30,35)(H,31,34)/t26-,27-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human B1 receptor


J Med Chem 54: 7232-46 (2011)


Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253105
PNG
(6-Chloro-N-cyclopropyl-7-(1-((S)-3-methylmorpholin...)
Show SMILES CNc1noc2c(c(Cl)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C21H20ClN5O2/c1-12-11-28-8-7-27(12)21-15-4-3-13(9-14(15)10-24-25-21)18-17(22)6-5-16-19(18)29-26-20(16)23-2/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,23,26)/t12-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253148
PNG
(CHEMBL522689 | N-(S)-sec-Butyl-6-(6-methyl-3-(meth...)
Show SMILES CC[C@H](C)Nc1nncc2cc(ccc12)-c1c(C)ccc2c(NC)noc12 |r|
Show InChI InChI=1S/C21H23N5O/c1-5-13(3)24-21-16-9-7-14(10-15(16)11-23-25-21)18-12(2)6-8-17-19(18)27-26-20(17)22-4/h6-11,13H,5H2,1-4H3,(H,22,26)(H,24,25)/t13-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252776
PNG
(CHEMBL495493 | N-Ethyl-6-methyl-7-(1-((S)-3-methyl...)
Show SMILES CCNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C23H25N5O2/c1-4-24-22-19-7-5-14(2)20(21(19)30-27-22)16-6-8-18-17(11-16)12-25-26-23(18)28-9-10-29-13-15(28)3/h5-8,11-12,15H,4,9-10,13H2,1-3H3,(H,24,27)/t15-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253150
PNG
(CHEMBL493496 | N,6-Dimethyl-7-(1-((R)-3-methylmorp...)
Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C22H23N5O2/c1-13-4-6-18-20(29-26-21(18)23-3)19(13)15-5-7-17-16(10-15)11-24-25-22(17)27-8-9-28-12-14(27)2/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,23,26)/t14-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50355063
PNG
(CHEMBL1834619)
Show SMILES Cc1nn(-c2ccc(cn2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C31H32ClN5O2/c1-20-24-8-6-9-26(32)29(24)31(39)37(35-20)28-14-12-23(18-33-28)30(38)34-27-10-5-7-22-17-21(11-13-25(22)27)19-36-15-3-2-4-16-36/h6,8-9,11-14,17-18,27H,2-5,7,10,15-16,19H2,1H3,(H,34,38)/t27-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human B1 receptor


J Med Chem 54: 7232-46 (2011)


Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253102
PNG
(6-Methyl-7-(1-((S)-3-methylmorpholino)phthalazin-6...)
Show SMILES C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(N)noc12 |r|
Show InChI InChI=1S/C21H21N5O2/c1-12-3-5-17-19(28-25-20(17)22)18(12)14-4-6-16-15(9-14)10-23-24-21(16)26-7-8-27-11-13(26)2/h3-6,9-10,13H,7-8,11H2,1-2H3,(H2,22,25)/t13-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253149
PNG
(6-Chloro-N-isopropyl-7-(1-((S)-3-methylmorpholino)...)
Show SMILES CC(C)Nc1noc2c(c(Cl)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C23H24ClN5O2/c1-13(2)26-22-18-6-7-19(24)20(21(18)31-28-22)15-4-5-17-16(10-15)11-25-27-23(17)29-8-9-30-12-14(29)3/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,26,28)/t14-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253103
PNG
(7-(1-Isopropoxyphthalazin-6-yl)-N,6-dimethylbenzo[...)
Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(OC(C)C)nncc2c1
Show InChI InChI=1S/C20H20N4O2/c1-11(2)25-20-15-8-6-13(9-14(15)10-22-23-20)17-12(3)5-7-16-18(17)26-24-19(16)21-4/h5-11H,1-4H3,(H,21,24)
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0.400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252777
PNG
(CHEMBL523374 | N,6-Dimethyl-7-(1-((S)-3-methylmorp...)
Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C22H23N5O2/c1-13-4-6-18-20(29-26-21(18)23-3)19(13)15-5-7-17-16(10-15)11-24-25-22(17)27-8-9-28-12-14(27)2/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,23,26)/t14-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252735
PNG
(CHEMBL495084 | N-Cyclopropyl-6-methyl-7-(1-o-tolyl...)
Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12
Show InChI InChI=1S/C26H22N4O/c1-15-5-3-4-6-20(15)24-21-12-8-17(13-18(21)14-27-29-24)23-16(2)7-11-22-25(23)31-30-26(22)28-19-9-10-19/h3-8,11-14,19H,9-10H2,1-2H3,(H,28,30)
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0.400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209744
PNG
((R)-3-(4-fluorophenyl)-N-((R)-7-(piperidin-1-ylmet...)
Show SMILES Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C31H33F4N3O4S/c32-24-10-8-22(9-11-24)28(37-43(40,41)25-6-4-5-23(18-25)31(33,34)35)19-30(39)36-27-13-16-42-29-17-21(7-12-26(27)29)20-38-14-2-1-3-15-38/h4-12,17-18,27-28,37H,1-3,13-16,19-20H2,(H,36,39)/t27-,28-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253147
PNG
(CHEMBL494305 | N-Isopropyl-6-(6-methyl-3-(methylam...)
Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(NC(C)C)nncc2c1
Show InChI InChI=1S/C20H21N5O/c1-11(2)23-20-15-8-6-13(9-14(15)10-22-24-20)17-12(3)5-7-16-18(17)26-25-19(16)21-4/h5-11H,1-4H3,(H,21,25)(H,23,24)
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0.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252775
PNG
(6-(3-(cyclopropylamino)-6-methylbenzo[d]isoxazol-7...)
Show SMILES CC(C)Nc1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12
Show InChI InChI=1S/C22H23N5O/c1-12(2)24-21-17-9-5-14(10-15(17)11-23-26-21)19-13(3)4-8-18-20(19)28-27-22(18)25-16-6-7-16/h4-5,8-12,16H,6-7H2,1-3H3,(H,24,26)(H,25,27)
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0.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314782
PNG
(CHEMBL1089866 | N-Cyclopropyl-3-(1-(2,4-difluoroph...)
Show SMILES CCn1c2n(ncc2cc(-c2cc(ccc2C)C(=O)NC2CC2)c1=O)-c1ccc(F)cc1F
Show InChI InChI=1S/C25H22F2N4O2/c1-3-30-24-16(13-28-31(24)22-9-6-17(26)12-21(22)27)11-20(25(30)33)19-10-15(5-4-14(19)2)23(32)29-18-7-8-18/h4-6,9-13,18H,3,7-8H2,1-2H3,(H,29,32)
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0.600n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated AFT2 phosphorylation after 1 hr by HTRF assay


J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
BindingDB Entry DOI: 10.7270/Q2FX79MD
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50355062
PNG
(CHEMBL1834752)
Show SMILES Cc1nn(-c2ccc(cn2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2c(F)cccc12 |r|
Show InChI InChI=1S/C31H32FN5O2/c1-20-24-8-6-9-26(32)29(24)31(39)37(35-20)28-14-12-23(18-33-28)30(38)34-27-10-5-7-22-17-21(11-13-25(22)27)19-36-15-3-2-4-16-36/h6,8-9,11-14,17-18,27H,2-5,7,10,15-16,19H2,1H3,(H,34,38)/t27-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human B1 receptor


J Med Chem 54: 7232-46 (2011)


Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50355057
PNG
(CHEMBL1834751)
Show SMILES Cc1nn(-c2ccc(cn2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2c(F)ccc(F)c12 |r|
Show InChI InChI=1S/C31H31F2N5O2/c1-19-28-24(32)11-12-25(33)29(28)31(40)38(36-19)27-13-9-22(17-34-27)30(39)35-26-7-5-6-21-16-20(8-10-23(21)26)18-37-14-3-2-4-15-37/h8-13,16-17,26H,2-7,14-15,18H2,1H3,(H,35,39)/t26-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human B1 receptor


J Med Chem 54: 7232-46 (2011)


Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253104
PNG
(CHEMBL521860 | N-(6-Methyl-7-(1-((S)-3-methylmorph...)
Show SMILES C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(NC(C)=O)noc12 |r|
Show InChI InChI=1S/C23H23N5O3/c1-13-4-6-19-21(31-27-22(19)25-15(3)29)20(13)16-5-7-18-17(10-16)11-24-26-23(18)28-8-9-30-12-14(28)2/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,25,27,29)/t14-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252736
PNG
(CHEMBL522877 | N-Cyclopropyl-6-methyl-7-(1-((S)-3-...)
Show SMILES C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12 |r|
Show InChI InChI=1S/C24H25N5O2/c1-14-3-7-20-22(31-28-23(20)26-18-5-6-18)21(14)16-4-8-19-17(11-16)12-25-27-24(19)29-9-10-30-13-15(29)2/h3-4,7-8,11-12,15,18H,5-6,9-10,13H2,1-2H3,(H,26,28)/t15-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203200
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314785
PNG
(CHEMBL1091929 | N-Cyclopropyl-3-(1-(2,6-difluoroph...)
Show SMILES Cc1c(F)cc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)NC1CC1 |(1.2,-3.81,;-.13,-3.04,;-1.47,-3.81,;-1.46,-5.35,;-2.8,-3.04,;-2.8,-1.5,;-1.47,-.73,;-.14,-1.5,;1.2,-.73,;2.53,-1.49,;3.86,-.72,;5.33,-1.2,;6.23,.05,;5.3,1.31,;6.07,2.64,;7.56,2.72,;8.35,1.37,;8.33,4.06,;7.49,5.35,;5.95,5.35,;5.29,3.99,;3.7,4.17,;3.86,.82,;2.53,1.59,;2.53,3.13,;1.19,.81,;-.14,1.58,;-4.14,-.73,;-4.14,.81,;-5.47,-1.51,;-6.81,-.74,;-8.35,-.74,;-7.58,.6,)|
Show InChI InChI=1S/C24H19F3N4O2/c1-12-16(8-13(10-20(12)27)22(32)29-15-6-7-15)17-9-14-11-28-31(23(14)30(2)24(17)33)21-18(25)4-3-5-19(21)26/h3-5,8-11,15H,6-7H2,1-2H3,(H,29,32)
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0.800n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated AFT2 phosphorylation after 1 hr by HTRF assay


J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
BindingDB Entry DOI: 10.7270/Q2FX79MD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252774
PNG
(1-((S)-4-(6-(3-(Cyclopropylamino)-6-methylbenzo[d]...)
Show SMILES C[C@H]1CN(CCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12)C(C)=O |r|
Show InChI InChI=1S/C26H28N6O2/c1-15-4-8-22-24(34-30-25(22)28-20-6-7-20)23(15)18-5-9-21-19(12-18)13-27-29-26(21)32-11-10-31(17(3)33)14-16(32)2/h4-5,8-9,12-13,16,20H,6-7,10-11,14H2,1-3H3,(H,28,30)/t16-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50355064
PNG
(CHEMBL1834616)
Show SMILES Cc1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C32H33ClN4O2/c1-21-26-8-6-9-28(33)30(26)32(39)37(35-21)25-14-12-23(13-15-25)31(38)34-29-10-5-7-24-19-22(11-16-27(24)29)20-36-17-3-2-4-18-36/h6,8-9,11-16,19,29H,2-5,7,10,17-18,20H2,1H3,(H,34,38)/t29-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human B1 receptor


J Med Chem 54: 7232-46 (2011)


Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314778
PNG
(3-(1-(2-Chlorophenyl)-7-methyl-6-oxo-6,7-dihydro-1...)
Show SMILES Cc1ccc(cc1-c1cc2cnn(-c3ccccc3Cl)c2n(C)c1=O)C(=O)NC1CC1
Show InChI InChI=1S/C24H21ClN4O2/c1-14-7-8-15(22(30)27-17-9-10-17)11-18(14)19-12-16-13-26-29(23(16)28(2)24(19)31)21-6-4-3-5-20(21)25/h3-8,11-13,17H,9-10H2,1-2H3,(H,27,30)
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0.900n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated AFT2 phosphorylation after 1 hr by HTRF assay


J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
BindingDB Entry DOI: 10.7270/Q2FX79MD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314788
PNG
(3-(1-(2,6-Difluorophenyl)-7-methyl-6-oxo-6,7-dihyd...)
Show SMILES Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)Nc1ccon1 |(1.64,-4.57,;.31,-3.8,;-1.02,-4.57,;-2.36,-3.8,;-2.36,-2.26,;-1.02,-1.49,;.31,-2.26,;1.64,-1.49,;2.98,-2.26,;4.31,-1.49,;5.78,-1.97,;6.68,-.72,;5.75,.53,;6.52,1.87,;8.01,1.95,;8.8,.59,;8.78,3.28,;7.94,4.57,;6.41,4.57,;5.74,3.22,;4.16,3.4,;4.31,.05,;2.98,.82,;2.98,2.36,;1.64,.05,;.31,.82,;-3.69,-1.49,;-3.69,.05,;-5.02,-2.26,;-6.36,-1.49,;-7.77,-2.12,;-8.8,-.98,;-8.03,.36,;-6.52,.04,)|
Show InChI InChI=1S/C24H17F2N5O3/c1-13-6-7-14(22(32)28-20-8-9-34-29-20)10-16(13)17-11-15-12-27-31(23(15)30(2)24(17)33)21-18(25)4-3-5-19(21)26/h3-12H,1-2H3,(H,28,29,32)
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated AFT2 phosphorylation after 1 hr by HTRF assay


J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
BindingDB Entry DOI: 10.7270/Q2FX79MD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253101
PNG
(7-(1-Isopropylphthalazin-6-yl)-N,6-dimethylbenzo[d...)
Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)C(C)C
Show InChI InChI=1S/C20H20N4O/c1-11(2)18-15-8-6-13(9-14(15)10-22-23-18)17-12(3)5-7-16-19(17)25-24-20(16)21-4/h5-11H,1-4H3,(H,21,24)
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1.10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314784
PNG
(4-Chloro-N-cyclopropyl-3-(1-(2,6-difluorophenyl)-7...)
Show SMILES Cn1c2n(ncc2cc(-c2cc(ccc2Cl)C(=O)NC2CC2)c1=O)-c1c(F)cccc1F |(2.55,2.36,;2.53,.82,;3.86,.04,;5.31,.52,;6.22,-.75,;5.31,-1.98,;3.85,-1.5,;2.51,-2.26,;1.18,-1.48,;-.16,-2.23,;-1.49,-1.45,;-2.83,-2.21,;-2.84,-3.75,;-1.51,-4.53,;-.17,-3.77,;1.16,-4.56,;-4.15,-1.43,;-4.14,.11,;-5.49,-2.19,;-6.82,-1.41,;-8.36,-1.4,;-7.58,-.07,;1.19,.06,;-.13,.85,;6.09,1.85,;7.58,1.92,;8.35,.56,;8.36,3.24,;7.53,4.54,;5.99,4.56,;5.32,3.21,;3.73,3.4,)|
Show InChI InChI=1S/C23H17ClF2N4O2/c1-29-22-13(11-27-30(22)20-18(25)3-2-4-19(20)26)10-16(23(29)32)15-9-12(5-8-17(15)24)21(31)28-14-6-7-14/h2-5,8-11,14H,6-7H2,1H3,(H,28,31)
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1.10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated AFT2 phosphorylation after 1 hr by HTRF assay


J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
BindingDB Entry DOI: 10.7270/Q2FX79MD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314776
PNG
(CHEMBL1089865 | N-Cyclopropyl-3-(1-(2,6-difluoroph...)
Show SMILES Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)NC1CC1 |(1.2,-4.58,;-.13,-3.81,;-1.47,-4.58,;-2.8,-3.81,;-2.8,-2.27,;-1.47,-1.5,;-.14,-2.27,;1.2,-1.5,;2.53,-2.26,;3.86,-1.49,;5.33,-1.97,;6.23,-.72,;5.3,.54,;6.07,1.87,;7.56,1.95,;8.35,.6,;8.33,3.29,;7.49,4.58,;5.95,4.58,;5.29,3.22,;3.7,3.4,;3.86,.05,;2.53,.82,;2.53,2.36,;1.19,.04,;-.14,.81,;-4.14,-1.5,;-4.14,.04,;-5.47,-2.28,;-6.81,-1.51,;-8.35,-1.51,;-7.58,-.17,)|
Show InChI InChI=1S/C24H20F2N4O2/c1-13-6-7-14(22(31)28-16-8-9-16)10-17(13)18-11-15-12-27-30(23(15)29(2)24(18)32)21-19(25)4-3-5-20(21)26/h3-7,10-12,16H,8-9H2,1-2H3,(H,28,31)
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1.40n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated AFT2 phosphorylation after 1 hr by HTRF assay


J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
BindingDB Entry DOI: 10.7270/Q2FX79MD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314786
PNG
(3-(1-(2,6-Difluorophenyl)-7-methyl-6-oxo-6,7-dihyd...)
Show SMILES Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(N)=O |(-.24,-4.57,;-1.57,-3.81,;-2.91,-4.58,;-4.24,-3.81,;-4.24,-2.27,;-2.91,-1.5,;-1.57,-2.27,;-.24,-1.49,;1.09,-2.26,;2.43,-1.49,;3.89,-1.97,;4.8,-.72,;3.87,.54,;4.64,1.87,;6.13,1.95,;6.91,.6,;6.9,3.28,;6.06,4.58,;4.52,4.58,;3.85,3.22,;2.27,3.4,;2.43,.05,;1.09,.82,;1.09,2.36,;-.24,.05,;-1.58,.81,;-5.58,-1.5,;-5.58,.04,;-6.91,-2.27,)|
Show InChI InChI=1S/C21H16F2N4O2/c1-11-6-7-12(19(24)28)8-14(11)15-9-13-10-25-27(20(13)26(2)21(15)29)18-16(22)4-3-5-17(18)23/h3-10H,1-2H3,(H2,24,28)
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1.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated AFT2 phosphorylation after 1 hr by HTRF assay


J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
BindingDB Entry DOI: 10.7270/Q2FX79MD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314787
PNG
(3-(1-(2,6-Difluorophenyl)-7-methyl-6-oxo-6,7-dihyd...)
Show SMILES Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)NC1(C)CC1 |(-1.2,4.58,;.14,3.81,;1.47,4.59,;2.81,3.82,;2.81,2.28,;1.48,1.51,;.14,2.27,;-1.19,1.5,;-2.52,2.27,;-3.85,1.49,;-5.32,1.96,;-6.22,.71,;-5.29,-.54,;-6.06,-1.88,;-7.55,-1.96,;-8.33,-.61,;-8.31,-3.3,;-7.47,-4.59,;-5.93,-4.58,;-5.27,-3.23,;-3.69,-3.4,;-3.85,-.05,;-2.51,-.81,;-2.51,-2.35,;-1.18,-.04,;.15,-.81,;4.15,1.52,;4.15,-.02,;5.48,2.29,;6.81,1.52,;6.82,.02,;7.8,2.71,;8.33,1.26,)|
Show InChI InChI=1S/C25H22F2N4O2/c1-14-7-8-15(22(32)29-25(2)9-10-25)11-17(14)18-12-16-13-28-31(23(16)30(3)24(18)33)21-19(26)5-4-6-20(21)27/h4-8,11-13H,9-10H2,1-3H3,(H,29,32)
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1.70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated AFT2 phosphorylation after 1 hr by HTRF assay


J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
BindingDB Entry DOI: 10.7270/Q2FX79MD
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50252777
PNG
(CHEMBL523374 | N,6-Dimethyl-7-(1-((S)-3-methylmorp...)
Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C22H23N5O2/c1-13-4-6-18-20(29-26-21(18)23-3)19(13)15-5-7-17-16(10-15)11-24-25-22(17)27-8-9-28-12-14(27)2/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,23,26)/t14-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38beta-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314777
PNG
(CHEMBL1089122 | N-Cyclopropyl-4-methyl-3-(7-methyl...)
Show SMILES Cc1ccc(cc1-c1cc2cnn(-c3ccccc3C)c2n(C)c1=O)C(=O)NC1CC1
Show InChI InChI=1S/C25H24N4O2/c1-15-8-9-17(23(30)27-19-10-11-19)12-20(15)21-13-18-14-26-29(24(18)28(3)25(21)31)22-7-5-4-6-16(22)2/h4-9,12-14,19H,10-11H2,1-3H3,(H,27,30)
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1.90n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated AFT2 phosphorylation after 1 hr by HTRF assay


J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
BindingDB Entry DOI: 10.7270/Q2FX79MD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314781
PNG
(CHEMBL1089534 | N-Cyclopropyl-3-(1-(2,5-difluoroph...)
Show SMILES Cc1ccc(cc1-c1cc2cnn(-c3cc(F)ccc3F)c2n(C)c1=O)C(=O)NC1CC1
Show InChI InChI=1S/C24H20F2N4O2/c1-13-3-4-14(22(31)28-17-6-7-17)9-18(13)19-10-15-12-27-30(23(15)29(2)24(19)32)21-11-16(25)5-8-20(21)26/h3-5,8-12,17H,6-7H2,1-2H3,(H,28,31)
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1.90n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated AFT2 phosphorylation after 1 hr by HTRF assay


J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
BindingDB Entry DOI: 10.7270/Q2FX79MD
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50355056
PNG
(CHEMBL1834614)
Show SMILES Cc1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2c(F)cccc12 |r|
Show InChI InChI=1S/C32H33FN4O2/c1-21-26-8-6-9-28(33)30(26)32(39)37(35-21)25-14-12-23(13-15-25)31(38)34-29-10-5-7-24-19-22(11-16-27(24)29)20-36-17-3-2-4-18-36/h6,8-9,11-16,19,29H,2-5,7,10,17-18,20H2,1H3,(H,34,38)/t29-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human B1 receptor


J Med Chem 54: 7232-46 (2011)


Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314792
PNG
(1-(2,6-Difluorophenyl)-7-methyl-5-(6-methyl-3-(met...)
Show SMILES CNc1noc2c(c(C)ccc12)-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O |(-7.45,-.18,;-6.45,-1.35,;-4.93,-1.06,;-4.28,.33,;-2.75,.13,;-2.46,-1.38,;-1.15,-2.18,;-1.18,-3.72,;.13,-4.52,;-2.53,-4.46,;-3.85,-3.66,;-3.81,-2.12,;.2,-1.44,;1.52,-2.24,;2.87,-1.5,;4.32,-2.01,;5.26,-.78,;4.36,.5,;5.16,1.81,;6.65,1.86,;7.4,.49,;7.45,3.17,;6.64,4.48,;5.1,4.52,;4.41,3.18,;2.83,3.4,;2.91,.04,;1.59,.84,;1.62,2.38,;.24,.1,;-1.08,.9,)|
Show InChI InChI=1S/C22H17F2N5O2/c1-11-7-8-13-19(31-27-20(13)25-2)17(11)14-9-12-10-26-29(21(12)28(3)22(14)30)18-15(23)5-4-6-16(18)24/h4-10H,1-3H3,(H,25,27)
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2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated AFT2 phosphorylation after 1 hr by HTRF assay


J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
BindingDB Entry DOI: 10.7270/Q2FX79MD
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50192518
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34)
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2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252738
PNG
(6-Methyl-7-(1-((S)-3-methylmorpholino)phthalazin-6...)
Show SMILES C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(N)nsc12 |r|
Show InChI InChI=1S/C21H21N5OS/c1-12-3-5-17-19(28-25-20(17)22)18(12)14-4-6-16-15(9-14)10-23-24-21(16)26-7-8-27-11-13(26)2/h3-6,9-10,13H,7-8,11H2,1-2H3,(H2,22,25)/t13-/m0/s1
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2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314780
PNG
(CHEMBL1091199 | N-Cyclopropyl-3-(1-(2,4-difluoroph...)
Show SMILES Cc1ccc(cc1-c1cc2cnn(-c3ccc(F)cc3F)c2n(C)c1=O)C(=O)NC1CC1
Show InChI InChI=1S/C24H20F2N4O2/c1-13-3-4-14(22(31)28-17-6-7-17)9-18(13)19-10-15-12-27-30(23(15)29(2)24(19)32)21-8-5-16(25)11-20(21)26/h3-5,8-12,17H,6-7H2,1-2H3,(H,28,31)
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2.30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated AFT2 phosphorylation after 1 hr by HTRF assay


J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
BindingDB Entry DOI: 10.7270/Q2FX79MD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314779
PNG
(CHEMBL1089457 | N-Cyclopropyl-4-methyl-3-(7-methyl...)
Show SMILES Cc1ccc(cc1-c1cc2cnn(-c3ncccc3C(F)(F)F)c2n(C)c1=O)C(=O)NC1CC1
Show InChI InChI=1S/C24H20F3N5O2/c1-13-5-6-14(21(33)30-16-7-8-16)10-17(13)18-11-15-12-29-32(22(15)31(2)23(18)34)20-19(24(25,26)27)4-3-9-28-20/h3-6,9-12,16H,7-8H2,1-2H3,(H,30,33)
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2.30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated AFT2 phosphorylation after 1 hr by HTRF assay


J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
BindingDB Entry DOI: 10.7270/Q2FX79MD
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50355058
PNG
(CHEMBL1834750)
Show SMILES Cc1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCOc3cc(CN4CCCCC4)ccc23)c(=O)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C31H31ClN4O3/c1-20-24-6-5-7-26(32)29(24)31(38)36(34-20)23-11-9-22(10-12-23)30(37)33-27-14-17-39-28-18-21(8-13-25(27)28)19-35-15-3-2-4-16-35/h5-13,18,27H,2-4,14-17,19H2,1H3,(H,33,37)/t27-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human B1 receptor


J Med Chem 54: 7232-46 (2011)


Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50314776
PNG
(CHEMBL1089865 | N-Cyclopropyl-3-(1-(2,6-difluoroph...)
Show SMILES Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)NC1CC1 |(1.2,-4.58,;-.13,-3.81,;-1.47,-4.58,;-2.8,-3.81,;-2.8,-2.27,;-1.47,-1.5,;-.14,-2.27,;1.2,-1.5,;2.53,-2.26,;3.86,-1.49,;5.33,-1.97,;6.23,-.72,;5.3,.54,;6.07,1.87,;7.56,1.95,;8.35,.6,;8.33,3.29,;7.49,4.58,;5.95,4.58,;5.29,3.22,;3.7,3.4,;3.86,.05,;2.53,.82,;2.53,2.36,;1.19,.04,;-.14,.81,;-4.14,-1.5,;-4.14,.04,;-5.47,-2.28,;-6.81,-1.51,;-8.35,-1.51,;-7.58,-.17,)|
Show InChI InChI=1S/C24H20F2N4O2/c1-13-6-7-14(22(31)28-16-8-9-16)10-17(13)18-11-15-12-27-30(23(15)29(2)24(18)32)21-19(25)4-3-5-20(21)26/h3-7,10-12,16H,8-9H2,1-2H3,(H,28,31)
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2.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38beta


J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
BindingDB Entry DOI: 10.7270/Q2FX79MD
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50355059
PNG
(CHEMBL1834620)
Show SMILES Cc1nn(-c2ccc(nc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C31H32ClN5O2/c1-20-24-8-6-9-26(32)29(24)31(39)37(35-20)23-12-14-28(33-18-23)30(38)34-27-10-5-7-22-17-21(11-13-25(22)27)19-36-15-3-2-4-16-36/h6,8-9,11-14,17-18,27H,2-5,7,10,15-16,19H2,1H3,(H,34,38)/t27-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human B1 receptor


J Med Chem 54: 7232-46 (2011)


Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50192518
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34)
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3.30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to mouse MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50355060
PNG
(CHEMBL1834615)
Show SMILES Cc1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2c(F)ccc(F)c12 |r|
Show InChI InChI=1S/C32H32F2N4O2/c1-20-29-26(33)14-15-27(34)30(29)32(40)38(36-20)24-11-9-22(10-12-24)31(39)35-28-7-5-6-23-18-21(8-13-25(23)28)19-37-16-3-2-4-17-37/h8-15,18,28H,2-7,16-17,19H2,1H3,(H,35,39)/t28-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human B1 receptor


J Med Chem 54: 7232-46 (2011)


Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209743
PNG
((R)-N-((R)-7-(morpholinomethyl)chroman-4-yl)-3-(na...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCOCC3)ccc12
Show InChI InChI=1S/C33H35N3O5S/c37-33(34-30-14-17-41-32-20-24(10-13-29(30)32)23-36-15-18-40-19-16-36)22-31(26-7-2-1-3-8-26)35-42(38,39)28-12-11-25-6-4-5-9-27(25)21-28/h1-13,20-21,30-31,35H,14-19,22-23H2,(H,34,37)/t30-,31-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50360416
PNG
(CHEMBL1934260)
Show SMILES Clc1cccc2occ(-c3ccc(cc3)C(=O)N[C@H]3CCCc4cc(CN5CCCCC5)ccc34)c(=O)c12 |r|
Show InChI InChI=1S/C32H31ClN2O3/c33-27-7-5-9-29-30(27)31(36)26(20-38-29)22-11-13-23(14-12-22)32(37)34-28-8-4-6-24-18-21(10-15-25(24)28)19-35-16-2-1-3-17-35/h5,7,9-15,18,20,28H,1-4,6,8,16-17,19H2,(H,34,37)/t28-/m0/s1
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4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human B1 bradykinin receptor


Bioorg Med Chem Lett 22: 619-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244617
PNG
((2R,3S)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmeth...)
Show SMILES O[C@H](CS(=O)(=O)c1cccc(c1)C(F)(F)F)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C27H33F3N2O5S/c28-27(29,30)20-7-5-8-21(15-20)38(36,37)17-24(33)25(34)26(35)31-23-9-4-6-19-14-18(10-11-22(19)23)16-32-12-2-1-3-13-32/h5,7-8,10-11,14-15,23-25,33-34H,1-4,6,9,12-13,16-17H2,(H,31,35)/t23-,24-,25-/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human B1 receptor


J Med Chem 54: 7232-46 (2011)


Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50355061
PNG
(CHEMBL1834618)
Show SMILES Cc1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C32H33ClN4O2/c1-21-29-19-25(33)11-15-28(29)32(39)37(35-21)26-12-9-23(10-13-26)31(38)34-30-7-5-6-24-18-22(8-14-27(24)30)20-36-16-3-2-4-17-36/h8-15,18-19,30H,2-7,16-17,20H2,1H3,(H,34,38)/t30-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human B1 receptor


J Med Chem 54: 7232-46 (2011)


Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50192518
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34)
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4.70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209730
PNG
((R)-3-(4-fluorophenyl)-N-((R)-7-((isopropylamino)m...)
Show SMILES CC(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C29H31F4N3O4S/c1-18(2)34-17-19-6-11-24-25(12-13-40-27(24)14-19)35-28(37)16-26(20-7-9-22(30)10-8-20)36-41(38,39)23-5-3-4-21(15-23)29(31,32)33/h3-11,14-15,18,25-26,34,36H,12-13,16-17H2,1-2H3,(H,35,37)/t25-,26-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
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