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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50030814   
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
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301971
PNG
(2-((S)-6-(2,6-difluorophenyl)-3,3-dimethyl-2-oxopi...)
Show SMILES CC1(C)CC[C@H](N(CC(=O)Nc2ccc3C[C@@]4(Cc3c2)C(=O)Nc2ncccc42)C1=O)c1c(F)cccc1F |r|
Show InChI InChI=1S/C30H28F2N4O3/c1-29(2)11-10-23(25-21(31)6-3-7-22(25)32)36(28(29)39)16-24(37)34-19-9-8-17-14-30(15-18(17)13-19)20-5-4-12-33-26(20)35-27(30)38/h3-9,12-13,23H,10-11,14-16H2,1-2H3,(H,34,37)(H,33,35,38)/t23-,30-/m0/s1
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0.0350n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301969
PNG
(2a-(aminomethyl)-1-(((S)-2'-oxo-1',2',6,8-tetrahyd...)
Show SMILES NCC12CC(=O)Nc3cccc(N(Cc4ccc5cc6C[C@@]7(Cc6cc5n4)C(=O)Nc4ncccc74)C1=O)c23 |r|
Show InChI InChI=1S/C30H24N6O3/c31-15-30-13-24(37)34-21-4-1-5-23(25(21)30)36(28(30)39)14-19-7-6-16-9-17-11-29(12-18(17)10-22(16)33-19)20-3-2-8-32-26(20)35-27(29)38/h1-10H,11-15,31H2,(H,34,37)(H,32,35,38)/t29-,30?/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301968
PNG
(CHEMBL570474 | N-((R)-1-(3,5-difluorophenyl)ethyl)...)
Show SMILES C[C@@H](N(CC(=O)Nc1ccc2C[C@@]3(Cc2c1)N(C)C(=O)NC3=O)C(=O)C(C)(C)C)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C27H30F2N4O4/c1-15(17-8-19(28)11-20(29)9-17)33(24(36)26(2,3)4)14-22(34)30-21-7-6-16-12-27(13-18(16)10-21)23(35)31-25(37)32(27)5/h6-11,15H,12-14H2,1-5H3,(H,30,34)(H,31,35,37)/t15-,27+/m1/s1
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0.260n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301963
PNG
((S)-N-(3,5-difluorobenzyl)-N-(2-(3-methyl-2,5-diox...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2ccc(NC(=O)CN(Cc3cc(F)cc(F)c3)C(=O)C(C)(C)C)cc2C1 |r|
Show InChI InChI=1S/C26H28F2N4O4/c1-25(2,3)23(35)32(13-15-7-18(27)10-19(28)8-15)14-21(33)29-20-6-5-16-11-26(12-17(16)9-20)22(34)30-24(36)31(26)4/h5-10H,11-14H2,1-4H3,(H,29,33)(H,30,34,36)/t26-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301967
PNG
(CHEMBL583679 | N-(2-((S)-3-methyl-2,5-dioxo-1',3'-...)
Show SMILES C[C@@H](N(CC(=O)Nc1ccc2C[C@@]3(Cc2c1)N(C)C(=O)NC3=O)C(=O)C(C)(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C27H32N4O4/c1-17(18-9-7-6-8-10-18)31(24(34)26(2,3)4)16-22(32)28-21-12-11-19-14-27(15-20(19)13-21)23(33)29-25(35)30(27)5/h6-13,17H,14-16H2,1-5H3,(H,28,32)(H,29,33,35)/t17-,27+/m1/s1
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0.830n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301964
PNG
((S)-N-(3-chloro-5-fluorobenzyl)-N-(2-(3-methyl-2,5...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2ccc(NC(=O)CN(Cc3cc(F)cc(Cl)c3)C(=O)C(C)(C)C)cc2C1 |r|
Show InChI InChI=1S/C26H28ClFN4O4/c1-25(2,3)23(35)32(13-15-7-18(27)10-19(28)8-15)14-21(33)29-20-6-5-16-11-26(12-17(16)9-20)22(34)30-24(36)31(26)4/h5-10H,11-14H2,1-4H3,(H,29,33)(H,30,34,36)/t26-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301956
PNG
((+/-)-N-(3-fluorobenzyl)-N-(2-(3-methyl-2,5-dioxo-...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3cccc(F)c3)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C26H29FN4O4/c1-25(2,3)23(34)31(14-16-6-5-7-19(27)10-16)15-21(32)28-20-9-8-17-12-26(13-18(17)11-20)22(33)29-24(35)30(26)4/h5-11H,12-15H2,1-4H3,(H,28,32)(H,29,33,35)
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1.60n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301958
PNG
((+/-)-N-(3-chlorobenzyl)-N-(2-(3-methyl-2,5-dioxo-...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3cccc(Cl)c3)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C26H29ClN4O4/c1-25(2,3)23(34)31(14-16-6-5-7-19(27)10-16)15-21(32)28-20-9-8-17-12-26(13-18(17)11-20)22(33)29-24(35)30(26)4/h5-11H,12-15H2,1-4H3,(H,28,32)(H,29,33,35)
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1.80n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301954
PNG
((S)-N-benzyl-N-(2-(3-methyl-2,5-dioxo-1',3'-dihydr...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2ccc(NC(=O)CN(Cc3ccccc3)C(=O)C(C)(C)C)cc2C1 |r|
Show InChI InChI=1S/C26H30N4O4/c1-25(2,3)23(33)30(15-17-8-6-5-7-9-17)16-21(31)27-20-11-10-18-13-26(14-19(18)12-20)22(32)28-24(34)29(26)4/h5-12H,13-16H2,1-4H3,(H,27,31)(H,28,32,34)/t26-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301957
PNG
((+/-)-N-(4-fluorobenzyl)-N-(2-(3-methyl-2,5-dioxo-...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3ccc(F)cc3)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C26H29FN4O4/c1-25(2,3)23(34)31(14-16-5-8-19(27)9-6-16)15-21(32)28-20-10-7-17-12-26(13-18(17)11-20)22(33)29-24(35)30(26)4/h5-11H,12-15H2,1-4H3,(H,28,32)(H,29,33,35)
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3.70n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301965
PNG
((S)-N-(3,5-dichlorobenzyl)-N-(2-(3-methyl-2,5-diox...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2ccc(NC(=O)CN(Cc3cc(Cl)cc(Cl)c3)C(=O)C(C)(C)C)cc2C1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-25(2,3)23(35)32(13-15-7-18(27)10-19(28)8-15)14-21(33)29-20-6-5-16-11-26(12-17(16)9-20)22(34)30-24(36)31(26)4/h5-10H,11-14H2,1-4H3,(H,29,33)(H,30,34,36)/t26-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301959
PNG
((+/-)-N-(2-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3cccc(C)c3)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C27H32N4O4/c1-17-7-6-8-18(11-17)15-31(24(34)26(2,3)4)16-22(32)28-21-10-9-19-13-27(14-20(19)12-21)23(33)29-25(35)30(27)5/h6-12H,13-16H2,1-5H3,(H,28,32)(H,29,33,35)
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7.90n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301955
PNG
((+/-)-N-(2-fluorobenzyl)-N-(2-(3-methyl-2,5-dioxo-...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3ccccc3F)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C26H29FN4O4/c1-25(2,3)23(34)31(14-17-7-5-6-8-20(17)27)15-21(32)28-19-10-9-16-12-26(13-18(16)11-19)22(33)29-24(35)30(26)4/h5-11H,12-15H2,1-4H3,(H,28,32)(H,29,33,35)
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14n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301961
PNG
((+/-)-N-(3-cyanobenzyl)-N-(2-(3-methyl-2,5-dioxo-1...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3cccc(c3)C#N)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C27H29N5O4/c1-26(2,3)24(35)32(15-18-7-5-6-17(10-18)14-28)16-22(33)29-21-9-8-19-12-27(13-20(19)11-21)23(34)30-25(36)31(27)4/h5-11H,12-13,15-16H2,1-4H3,(H,29,33)(H,30,34,36)
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23n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301962
PNG
((+/-)-N-(2-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3ccc(cc3)C(F)(F)F)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C27H29F3N4O4/c1-25(2,3)23(37)34(14-16-5-8-19(9-6-16)27(28,29)30)15-21(35)31-20-10-7-17-12-26(13-18(17)11-20)22(36)32-24(38)33(26)4/h5-11H,12-15H2,1-4H3,(H,31,35)(H,32,36,38)
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25n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301960
PNG
((+/-)-N-(3-methoxybenzyl)-N-(2-(3-methyl-2,5-dioxo...)
Show SMILES COc1cccc(CN(CC(=O)Nc2ccc3CC4(Cc3c2)N(C)C(=O)NC4=O)C(=O)C(C)(C)C)c1
Show InChI InChI=1S/C27H32N4O5/c1-26(2,3)24(34)31(15-17-7-6-8-21(11-17)36-5)16-22(32)28-20-10-9-18-13-27(14-19(18)12-20)23(33)29-25(35)30(27)4/h6-12H,13-16H2,1-5H3,(H,28,32)(H,29,33,35)
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45n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301966
PNG
(CHEMBL568880 | N-(2-((S)-3-methyl-2,5-dioxo-1',3'-...)
Show SMILES C[C@H](N(CC(=O)Nc1ccc2C[C@@]3(Cc2c1)N(C)C(=O)NC3=O)C(=O)C(C)(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C27H32N4O4/c1-17(18-9-7-6-8-10-18)31(24(34)26(2,3)4)16-22(32)28-21-12-11-19-14-27(15-20(19)13-21)23(33)29-25(35)30(27)5/h6-13,17H,14-16H2,1-5H3,(H,28,32)(H,29,33,35)/t17-,27-/m0/s1
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56n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301967
PNG
(CHEMBL583679 | N-(2-((S)-3-methyl-2,5-dioxo-1',3'-...)
Show SMILES C[C@@H](N(CC(=O)Nc1ccc2C[C@@]3(Cc2c1)N(C)C(=O)NC3=O)C(=O)C(C)(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C27H32N4O4/c1-17(18-9-7-6-8-10-18)31(24(34)26(2,3)4)16-22(32)28-21-12-11-19-14-27(15-20(19)13-21)23(33)29-25(35)30(27)5/h6-13,17H,14-16H2,1-5H3,(H,28,32)(H,29,33,35)/t17-,27+/m1/s1
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670n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301954
PNG
((S)-N-benzyl-N-(2-(3-methyl-2,5-dioxo-1',3'-dihydr...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2ccc(NC(=O)CN(Cc3ccccc3)C(=O)C(C)(C)C)cc2C1 |r|
Show InChI InChI=1S/C26H30N4O4/c1-25(2,3)23(33)30(15-17-8-6-5-7-9-17)16-21(31)27-20-11-10-18-13-26(14-19(18)12-20)22(32)28-24(34)29(26)4/h5-12H,13-16H2,1-4H3,(H,27,31)(H,28,32,34)/t26-/m0/s1
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710n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301970
PNG
((R)-N-benzyl-N-(2-(3-methyl-2,5-dioxo-1',3'-dihydr...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)CN(Cc3ccccc3)C(=O)C(C)(C)C)cc2C1 |r|
Show InChI InChI=1S/C26H30N4O4/c1-25(2,3)23(33)30(15-17-8-6-5-7-9-17)16-21(31)27-20-11-10-18-13-26(14-19(18)12-20)22(32)28-24(34)29(26)4/h5-12H,13-16H2,1-4H3,(H,27,31)(H,28,32,34)/t26-/m1/s1
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800n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301956
PNG
((+/-)-N-(3-fluorobenzyl)-N-(2-(3-methyl-2,5-dioxo-...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3cccc(F)c3)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C26H29FN4O4/c1-25(2,3)23(34)31(14-16-6-5-7-19(27)10-16)15-21(32)28-20-9-8-17-12-26(13-18(17)11-20)22(33)29-24(35)30(26)4/h5-11H,12-15H2,1-4H3,(H,28,32)(H,29,33,35)
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1.40E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301958
PNG
((+/-)-N-(3-chlorobenzyl)-N-(2-(3-methyl-2,5-dioxo-...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3cccc(Cl)c3)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C26H29ClN4O4/c1-25(2,3)23(34)31(14-16-6-5-7-19(27)10-16)15-21(32)28-20-9-8-17-12-26(13-18(17)11-20)22(33)29-24(35)30(26)4/h5-11H,12-15H2,1-4H3,(H,28,32)(H,29,33,35)
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1.40E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301968
PNG
(CHEMBL570474 | N-((R)-1-(3,5-difluorophenyl)ethyl)...)
Show SMILES C[C@@H](N(CC(=O)Nc1ccc2C[C@@]3(Cc2c1)N(C)C(=O)NC3=O)C(=O)C(C)(C)C)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C27H30F2N4O4/c1-15(17-8-19(28)11-20(29)9-17)33(24(36)26(2,3)4)14-22(34)30-21-7-6-16-12-27(13-18(16)10-21)23(35)31-25(37)32(27)5/h6-11,15H,12-14H2,1-5H3,(H,30,34)(H,31,35,37)/t15-,27+/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301959
PNG
((+/-)-N-(2-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3cccc(C)c3)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C27H32N4O4/c1-17-7-6-8-18(11-17)15-31(24(34)26(2,3)4)16-22(32)28-21-10-9-19-13-27(14-20(19)12-21)23(33)29-25(35)30(27)5/h6-12H,13-16H2,1-5H3,(H,28,32)(H,29,33,35)
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1.80E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301964
PNG
((S)-N-(3-chloro-5-fluorobenzyl)-N-(2-(3-methyl-2,5...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2ccc(NC(=O)CN(Cc3cc(F)cc(Cl)c3)C(=O)C(C)(C)C)cc2C1 |r|
Show InChI InChI=1S/C26H28ClFN4O4/c1-25(2,3)23(35)32(13-15-7-18(27)10-19(28)8-15)14-21(33)29-20-6-5-16-11-26(12-17(16)9-20)22(34)30-24(36)31(26)4/h5-10H,11-14H2,1-4H3,(H,29,33)(H,30,34,36)/t26-/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301965
PNG
((S)-N-(3,5-dichlorobenzyl)-N-(2-(3-methyl-2,5-diox...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2ccc(NC(=O)CN(Cc3cc(Cl)cc(Cl)c3)C(=O)C(C)(C)C)cc2C1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-25(2,3)23(35)32(13-15-7-18(27)10-19(28)8-15)14-21(33)29-20-6-5-16-11-26(12-17(16)9-20)22(34)30-24(36)31(26)4/h5-10H,11-14H2,1-4H3,(H,29,33)(H,30,34,36)/t26-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301963
PNG
((S)-N-(3,5-difluorobenzyl)-N-(2-(3-methyl-2,5-diox...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2ccc(NC(=O)CN(Cc3cc(F)cc(F)c3)C(=O)C(C)(C)C)cc2C1 |r|
Show InChI InChI=1S/C26H28F2N4O4/c1-25(2,3)23(35)32(13-15-7-18(27)10-19(28)8-15)14-21(33)29-20-6-5-16-11-26(12-17(16)9-20)22(34)30-24(36)31(26)4/h5-10H,11-14H2,1-4H3,(H,29,33)(H,30,34,36)/t26-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301957
PNG
((+/-)-N-(4-fluorobenzyl)-N-(2-(3-methyl-2,5-dioxo-...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3ccc(F)cc3)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C26H29FN4O4/c1-25(2,3)23(34)31(14-16-5-8-19(27)9-6-16)15-21(32)28-20-10-7-17-12-26(13-18(17)11-20)22(33)29-24(35)30(26)4/h5-11H,12-15H2,1-4H3,(H,28,32)(H,29,33,35)
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3.70E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301962
PNG
((+/-)-N-(2-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3ccc(cc3)C(F)(F)F)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C27H29F3N4O4/c1-25(2,3)23(37)34(14-16-5-8-19(9-6-16)27(28,29)30)15-21(35)31-20-10-7-17-12-26(13-18(17)11-20)22(36)32-24(38)33(26)4/h5-11H,12-15H2,1-4H3,(H,31,35)(H,32,36,38)
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6.20E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301960
PNG
((+/-)-N-(3-methoxybenzyl)-N-(2-(3-methyl-2,5-dioxo...)
Show SMILES COc1cccc(CN(CC(=O)Nc2ccc3CC4(Cc3c2)N(C)C(=O)NC4=O)C(=O)C(C)(C)C)c1
Show InChI InChI=1S/C27H32N4O5/c1-26(2,3)24(34)31(15-17-7-6-8-21(11-17)36-5)16-22(32)28-20-10-9-18-13-27(14-19(18)12-20)23(33)29-25(35)30(27)4/h6-12H,13-16H2,1-5H3,(H,28,32)(H,29,33,35)
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9.70E+3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301961
PNG
((+/-)-N-(3-cyanobenzyl)-N-(2-(3-methyl-2,5-dioxo-1...)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3cccc(c3)C#N)C(=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C27H29N5O4/c1-26(2,3)24(35)32(15-18-7-5-6-17(10-18)14-28)16-22(33)29-21-9-8-19-12-27(13-20(19)11-21)23(34)30-25(36)31(27)4/h5-11H,12-13,15-16H2,1-4H3,(H,29,33)(H,30,34,36)
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1.30E+4n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50301966
PNG
(CHEMBL568880 | N-(2-((S)-3-methyl-2,5-dioxo-1',3'-...)
Show SMILES C[C@H](N(CC(=O)Nc1ccc2C[C@@]3(Cc2c1)N(C)C(=O)NC3=O)C(=O)C(C)(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C27H32N4O4/c1-17(18-9-7-6-8-10-18)31(24(34)26(2,3)4)16-22(32)28-21-12-11-19-14-27(15-20(19)13-21)23(33)29-25(35)30(27)5/h6-13,17H,14-16H2,1-5H3,(H,28,32)(H,29,33,35)/t17-,27-/m0/s1
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1.60E+4n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301971
PNG
(2-((S)-6-(2,6-difluorophenyl)-3,3-dimethyl-2-oxopi...)
Show SMILES CC1(C)CC[C@H](N(CC(=O)Nc2ccc3C[C@@]4(Cc3c2)C(=O)Nc2ncccc42)C1=O)c1c(F)cccc1F |r|
Show InChI InChI=1S/C30H28F2N4O3/c1-29(2)11-10-23(25-21(31)6-3-7-22(25)32)36(28(29)39)16-24(37)34-19-9-8-17-14-30(15-18(17)13-19)20-5-4-12-33-26(20)35-27(30)38/h3-9,12-13,23H,10-11,14-16H2,1-2H3,(H,34,37)(H,33,35,38)/t23-,30-/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-induced cAMP production


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50301969
PNG
(2a-(aminomethyl)-1-(((S)-2'-oxo-1',2',6,8-tetrahyd...)
Show SMILES NCC12CC(=O)Nc3cccc(N(Cc4ccc5cc6C[C@@]7(Cc6cc5n4)C(=O)Nc4ncccc74)C1=O)c23 |r|
Show InChI InChI=1S/C30H24N6O3/c31-15-30-13-24(37)34-21-4-1-5-23(25(21)30)36(28(30)39)14-19-7-6-16-9-17-11-29(12-18(17)10-22(16)33-19)20-3-2-8-32-26(20)35-27(29)38/h1-10H,11-15,31H2,(H,34,37)(H,32,35,38)/t29-,30?/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.620n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-induced cAMP production


Bioorg Med Chem Lett 19: 5787-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW
More data for this
Ligand-Target Pair