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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50020784   
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/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217493
PNG
(CHEMBL235237 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...)
Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C31H37N5O3/c37-29-27(14-13-25(23-7-3-1-4-8-23)20-35(29)19-22-11-12-22)32-30(38)34-17-15-26(16-18-34)36-21-28(33-31(36)39)24-9-5-2-6-10-24/h1-10,21-22,25-27H,11-20H2,(H,32,38)(H,33,39)/t25-,27-/m1/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217483
PNG
((cis racemic)-N-(1-(cyclopropylmethyl)-2-oxo-5-phe...)
Show SMILES O=C(NC1CC(CCN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C31H37N5O3/c37-29-27(19-25(23-7-3-1-4-8-23)13-16-35(29)20-22-11-12-22)32-30(38)34-17-14-26(15-18-34)36-21-28(33-31(36)39)24-9-5-2-6-10-24/h1-10,21-22,25-27H,11-20H2,(H,32,38)(H,33,39)
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17n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217495
PNG
(CHEMBL429262 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...)
Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C30H37N5O3/c36-28-27(13-12-23(22-6-2-1-3-7-22)19-34(28)18-21-10-11-21)32-29(37)33-16-14-25(15-17-33)35-20-24-8-4-5-9-26(24)31-30(35)38/h1-9,21,23,25,27H,10-20H2,(H,31,38)(H,32,37)/t23-,27-/m1/s1
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25n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217488
PNG
(CHEMBL392132 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...)
Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1nc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C30H36N6O3/c37-28-26(14-13-24(22-7-3-1-4-8-22)20-35(28)19-21-11-12-21)31-29(38)34-17-15-25(16-18-34)36-30(39)32-27(33-36)23-9-5-2-6-10-23/h1-10,21,24-26H,11-20H2,(H,31,38)(H,32,33,39)/t24-,26-/m1/s1
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29n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217485
PNG
(CHEMBL394229 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...)
Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1CCc2ccccc2NC1=O
Show InChI InChI=1S/C31H39N5O3/c37-29-28(13-12-25(23-6-2-1-3-7-23)21-35(29)20-22-10-11-22)33-30(38)34-17-15-26(16-18-34)36-19-14-24-8-4-5-9-27(24)32-31(36)39/h1-9,22,25-26,28H,10-21H2,(H,32,39)(H,33,38)/t25-,28-/m1/s1
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29n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217486
PNG
((cis racemic)-N-(1-(cyclopropylmethyl)-2-oxo-6-phe...)
Show SMILES O=C(NC1CCC(CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C30H37N5O3/c36-28-27(13-12-23(22-6-2-1-3-7-22)19-34(28)18-21-10-11-21)32-29(37)33-16-14-25(15-17-33)35-20-24-8-4-5-9-26(24)31-30(35)38/h1-9,21,23,25,27H,10-20H2,(H,31,38)(H,32,37)
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31n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217483
PNG
((cis racemic)-N-(1-(cyclopropylmethyl)-2-oxo-5-phe...)
Show SMILES O=C(NC1CC(CCN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C31H37N5O3/c37-29-27(19-25(23-7-3-1-4-8-23)13-16-35(29)20-22-11-12-22)32-30(38)34-17-14-26(15-18-34)36-21-28(33-31(36)39)24-9-5-2-6-10-24/h1-10,21-22,25-27H,11-20H2,(H,32,38)(H,33,39)
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35n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217498
PNG
((R,Z)-N-(1-isopropyl-2-oxo-5-phenyl-2,3-dihydro-1H...)
Show SMILES CC(C)N1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C32H34N6O3/c1-21(2)38-27-15-9-7-13-25(27)28(22-10-4-3-5-11-22)34-29(30(38)39)35-31(40)36-18-16-24(17-19-36)37-20-23-12-6-8-14-26(23)33-32(37)41/h3-15,21,24,29H,16-20H2,1-2H3,(H,33,41)(H,35,40)/t29-/m0/s1
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55n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217491
PNG
((cis racemic)-N-((3R)-1-(cyclopropylmethyl)-2-oxo-...)
Show SMILES O=C(NC1CC(CCN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1nc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C30H36N6O3/c37-28-26(19-24(22-7-3-1-4-8-22)13-16-35(28)20-21-11-12-21)31-29(38)34-17-14-25(15-18-34)36-30(39)32-27(33-36)23-9-5-2-6-10-23/h1-10,21,24-26H,11-20H2,(H,31,38)(H,32,33,39)
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266n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217491
PNG
((cis racemic)-N-((3R)-1-(cyclopropylmethyl)-2-oxo-...)
Show SMILES O=C(NC1CC(CCN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1nc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C30H36N6O3/c37-28-26(19-24(22-7-3-1-4-8-22)13-16-35(28)20-21-11-12-21)31-29(38)34-17-14-25(15-18-34)36-30(39)32-27(33-36)23-9-5-2-6-10-23/h1-10,21,24-26H,11-20H2,(H,31,38)(H,32,33,39)
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544n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217490
PNG
(CHEMBL428547 | N-((3R,7R)-1-(cyclopropylmethyl)-2-...)
Show SMILES O=C(N[C@@H]1CCC[C@@H](N(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C30H37N5O3/c36-28-26(11-6-12-27(22-7-2-1-3-8-22)35(28)19-21-13-14-21)32-29(37)33-17-15-24(16-18-33)34-20-23-9-4-5-10-25(23)31-30(34)38/h1-5,7-10,21,24,26-27H,6,11-20H2,(H,31,38)(H,32,37)/t26-,27-/m1/s1
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689n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217486
PNG
((cis racemic)-N-(1-(cyclopropylmethyl)-2-oxo-6-phe...)
Show SMILES O=C(NC1CCC(CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C30H37N5O3/c36-28-27(13-12-23(22-6-2-1-3-7-22)19-34(28)18-21-10-11-21)32-29(37)33-16-14-25(15-17-33)35-20-24-8-4-5-9-26(24)31-30(35)38/h1-9,21,23,25,27H,10-20H2,(H,31,38)(H,32,37)
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695n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217497
PNG
(CHEMBL395599 | tert-butyl 2-((3R,7R)-2-oxo-3-(4-(2...)
Show SMILES CC(C)(C)OC(=O)CN1[C@H](CCC[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
Show InChI InChI=1S/C32H41N5O5/c1-32(2,3)42-28(38)21-37-27(22-10-5-4-6-11-22)15-9-14-26(29(37)39)34-30(40)35-18-16-24(17-19-35)36-20-23-12-7-8-13-25(23)33-31(36)41/h4-8,10-13,24,26-27H,9,14-21H2,1-3H3,(H,33,41)(H,34,40)/t26-,27-/m1/s1
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934n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217484
PNG
((R)-N-(1-benzyl-2-oxoazepan-3-yl)-4-(2-oxo-1,2-dih...)
Show SMILES O=C(N[C@@H]1CCCCN(Cc2ccccc2)C1=O)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C27H33N5O3/c33-25-24(12-6-7-15-31(25)18-20-8-2-1-3-9-20)29-26(34)30-16-13-22(14-17-30)32-19-21-10-4-5-11-23(21)28-27(32)35/h1-5,8-11,22,24H,6-7,12-19H2,(H,28,35)(H,29,34)/t24-/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217499
PNG
((trans racemic)-tert-butyl 2-(2-oxo-3-(4-(2-oxo-1,...)
Show SMILES CC(C)(C)OC(=O)CN1C(CCCC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
Show InChI InChI=1S/C32H41N5O5/c1-32(2,3)42-28(38)21-37-27(22-10-5-4-6-11-22)15-9-14-26(29(37)39)34-30(40)35-18-16-24(17-19-35)36-20-23-12-7-8-13-25(23)33-31(36)41/h4-8,10-13,24,26-27H,9,14-21H2,1-3H3,(H,33,41)(H,34,40)
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1.99E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217492
PNG
(CHEMBL238203 | N-(1-isopropyl-2-oxo-2,3,4,5-tetrah...)
Show SMILES CC(C)N1c2ccccc2CCC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O
Show InChI InChI=1S/C27H33N5O3/c1-18(2)32-24-10-6-4-7-19(24)11-12-23(25(32)33)29-26(34)30-15-13-21(14-16-30)31-17-20-8-3-5-9-22(20)28-27(31)35/h3-10,18,21,23H,11-17H2,1-2H3,(H,28,35)(H,29,34)
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3.70E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217496
PNG
(CHEMBL235015 | N-((3S,6R)-1-(cyclopropylmethyl)-2-...)
Show SMILES O=C(N[C@H]1CC[C@@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C30H37N5O3/c36-28-27(13-12-23(22-6-2-1-3-7-22)19-34(28)18-21-10-11-21)32-29(37)33-16-14-25(15-17-33)35-20-24-8-4-5-9-26(24)31-30(35)38/h1-9,21,23,25,27H,10-20H2,(H,31,38)(H,32,37)/t23-,27-/m0/s1
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5.83E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217489
PNG
((R)-N-(1-(cyclopropylmethyl)-2-oxoazepan-3-yl)-4-(...)
Show SMILES O=C(N[C@@H]1CCCCN(CC2CC2)C1=O)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C24H33N5O3/c30-22-21(7-3-4-12-28(22)15-17-8-9-17)26-23(31)27-13-10-19(11-14-27)29-16-18-5-1-2-6-20(18)25-24(29)32/h1-2,5-6,17,19,21H,3-4,7-16H2,(H,25,32)(H,26,31)/t21-/m1/s1
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7.80E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217482
PNG
(CHEMBL236516 | tert-butyl 2-((3S,7S)-2-oxo-3-(4-(2...)
Show SMILES CC(C)(C)OC(=O)CN1[C@@H](CCC[C@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
Show InChI InChI=1S/C32H41N5O5/c1-32(2,3)42-28(38)21-37-27(22-10-5-4-6-11-22)15-9-14-26(29(37)39)34-30(40)35-18-16-24(17-19-35)36-20-23-12-7-8-13-25(23)33-31(36)41/h4-8,10-13,24,26-27H,9,14-21H2,1-3H3,(H,33,41)(H,34,40)/t26-,27-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217494
PNG
((S)-N-(1-benzyl-2-oxoazepan-3-yl)-4-(2-oxo-1,2-dih...)
Show SMILES O=C(N[C@H]1CCCCN(Cc2ccccc2)C1=O)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C27H33N5O3/c33-25-24(12-6-7-15-31(25)18-20-8-2-1-3-9-20)29-26(34)30-16-13-22(14-17-30)32-19-21-10-4-5-11-23(21)28-27(32)35/h1-5,8-11,22,24H,6-7,12-19H2,(H,28,35)(H,29,34)/t24-/m0/s1
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1.11E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217493
PNG
(CHEMBL235237 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...)
Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C31H37N5O3/c37-29-27(14-13-25(23-7-3-1-4-8-23)20-35(29)19-22-11-12-22)32-30(38)34-17-15-26(16-18-34)36-21-28(33-31(36)39)24-9-5-2-6-10-24/h1-10,21-22,25-27H,11-20H2,(H,32,38)(H,33,39)/t25-,27-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217485
PNG
(CHEMBL394229 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...)
Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1CCc2ccccc2NC1=O
Show InChI InChI=1S/C31H39N5O3/c37-29-28(13-12-25(23-6-2-1-3-7-23)21-35(29)20-22-10-11-22)33-30(38)34-17-15-26(16-18-34)36-19-14-24-8-4-5-9-27(24)32-31(36)39/h1-9,22,25-26,28H,10-21H2,(H,32,39)(H,33,38)/t25-,28-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217495
PNG
(CHEMBL429262 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...)
Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C30H37N5O3/c36-28-27(13-12-23(22-6-2-1-3-7-22)19-34(28)18-21-10-11-21)32-29(37)33-16-14-25(15-17-33)35-20-24-8-4-5-9-26(24)31-30(35)38/h1-9,21,23,25,27H,10-20H2,(H,31,38)(H,32,37)/t23-,27-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217488
PNG
(CHEMBL392132 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...)
Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1nc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C30H36N6O3/c37-28-26(14-13-24(22-7-3-1-4-8-22)20-35(28)19-21-11-12-21)31-29(38)34-17-15-25(16-18-34)36-30(39)32-27(33-36)23-9-5-2-6-10-23/h1-10,21,24-26H,11-20H2,(H,31,38)(H,32,33,39)/t24-,26-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217486
PNG
((cis racemic)-N-(1-(cyclopropylmethyl)-2-oxo-6-phe...)
Show SMILES O=C(NC1CCC(CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C30H37N5O3/c36-28-27(13-12-23(22-6-2-1-3-7-22)19-34(28)18-21-10-11-21)32-29(37)33-16-14-25(15-17-33)35-20-24-8-4-5-9-26(24)31-30(35)38/h1-9,21,23,25,27H,10-20H2,(H,31,38)(H,32,37)
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n/an/a 54n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217498
PNG
((R,Z)-N-(1-isopropyl-2-oxo-5-phenyl-2,3-dihydro-1H...)
Show SMILES CC(C)N1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C32H34N6O3/c1-21(2)38-27-15-9-7-13-25(27)28(22-10-4-3-5-11-22)34-29(30(38)39)35-31(40)36-18-16-24(17-19-36)37-20-23-12-6-8-14-26(23)33-32(37)41/h3-15,21,24,29H,16-20H2,1-2H3,(H,33,41)(H,35,40)/t29-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217483
PNG
((cis racemic)-N-(1-(cyclopropylmethyl)-2-oxo-5-phe...)
Show SMILES O=C(NC1CC(CCN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C31H37N5O3/c37-29-27(19-25(23-7-3-1-4-8-23)13-16-35(29)20-22-11-12-22)32-30(38)34-17-14-26(15-18-34)36-21-28(33-31(36)39)24-9-5-2-6-10-24/h1-10,21-22,25-27H,11-20H2,(H,32,38)(H,33,39)
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n/an/a 133n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217483
PNG
((cis racemic)-N-(1-(cyclopropylmethyl)-2-oxo-5-phe...)
Show SMILES O=C(NC1CC(CCN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C31H37N5O3/c37-29-27(19-25(23-7-3-1-4-8-23)13-16-35(29)20-22-11-12-22)32-30(38)34-17-14-26(15-18-34)36-21-28(33-31(36)39)24-9-5-2-6-10-24/h1-10,21-22,25-27H,11-20H2,(H,32,38)(H,33,39)
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n/an/a 141n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217490
PNG
(CHEMBL428547 | N-((3R,7R)-1-(cyclopropylmethyl)-2-...)
Show SMILES O=C(N[C@@H]1CCC[C@@H](N(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C30H37N5O3/c36-28-26(11-6-12-27(22-7-2-1-3-8-22)35(28)19-21-13-14-21)32-29(37)33-17-15-24(16-18-33)34-20-23-9-4-5-10-25(23)31-30(34)38/h1-5,7-10,21,24,26-27H,6,11-20H2,(H,31,38)(H,32,37)/t26-,27-/m1/s1
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n/an/a 408n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217482
PNG
(CHEMBL236516 | tert-butyl 2-((3S,7S)-2-oxo-3-(4-(2...)
Show SMILES CC(C)(C)OC(=O)CN1[C@@H](CCC[C@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
Show InChI InChI=1S/C32H41N5O5/c1-32(2,3)42-28(38)21-37-27(22-10-5-4-6-11-22)15-9-14-26(29(37)39)34-30(40)35-18-16-24(17-19-35)36-20-23-12-7-8-13-25(23)33-31(36)41/h4-8,10-13,24,26-27H,9,14-21H2,1-3H3,(H,33,41)(H,34,40)/t26-,27-/m0/s1
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n/an/a 471n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217491
PNG
((cis racemic)-N-((3R)-1-(cyclopropylmethyl)-2-oxo-...)
Show SMILES O=C(NC1CC(CCN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1nc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C30H36N6O3/c37-28-26(19-24(22-7-3-1-4-8-22)13-16-35(28)20-21-11-12-21)31-29(38)34-17-14-25(15-18-34)36-30(39)32-27(33-36)23-9-5-2-6-10-23/h1-10,21,24-26H,11-20H2,(H,31,38)(H,32,33,39)
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n/an/a 488n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217486
PNG
((cis racemic)-N-(1-(cyclopropylmethyl)-2-oxo-6-phe...)
Show SMILES O=C(NC1CCC(CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C30H37N5O3/c36-28-27(13-12-23(22-6-2-1-3-7-22)19-34(28)18-21-10-11-21)32-29(37)33-16-14-25(15-17-33)35-20-24-8-4-5-9-26(24)31-30(35)38/h1-9,21,23,25,27H,10-20H2,(H,31,38)(H,32,37)
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n/an/a 778n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217482
PNG
(CHEMBL236516 | tert-butyl 2-((3S,7S)-2-oxo-3-(4-(2...)
Show SMILES CC(C)(C)OC(=O)CN1[C@@H](CCC[C@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
Show InChI InChI=1S/C32H41N5O5/c1-32(2,3)42-28(38)21-37-27(22-10-5-4-6-11-22)15-9-14-26(29(37)39)34-30(40)35-18-16-24(17-19-35)36-20-23-12-7-8-13-25(23)33-31(36)41/h4-8,10-13,24,26-27H,9,14-21H2,1-3H3,(H,33,41)(H,34,40)/t26-,27-/m0/s1
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n/an/a 2.12E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217489
PNG
((R)-N-(1-(cyclopropylmethyl)-2-oxoazepan-3-yl)-4-(...)
Show SMILES O=C(N[C@@H]1CCCCN(CC2CC2)C1=O)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C24H33N5O3/c30-22-21(7-3-4-12-28(22)15-17-8-9-17)26-23(31)27-13-10-19(11-14-27)29-16-18-5-1-2-6-20(18)25-24(29)32/h1-2,5-6,17,19,21H,3-4,7-16H2,(H,25,32)(H,26,31)/t21-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217492
PNG
(CHEMBL238203 | N-(1-isopropyl-2-oxo-2,3,4,5-tetrah...)
Show SMILES CC(C)N1c2ccccc2CCC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O
Show InChI InChI=1S/C27H33N5O3/c1-18(2)32-24-10-6-4-7-19(24)11-12-23(25(32)33)29-26(34)30-15-13-21(14-16-30)31-17-20-8-3-5-9-22(20)28-27(31)35/h3-10,18,21,23H,11-17H2,1-2H3,(H,28,35)(H,29,34)
PDB

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UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217491
PNG
((cis racemic)-N-((3R)-1-(cyclopropylmethyl)-2-oxo-...)
Show SMILES O=C(NC1CC(CCN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1nc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C30H36N6O3/c37-28-26(19-24(22-7-3-1-4-8-22)13-16-35(28)20-21-11-12-21)31-29(38)34-17-14-25(15-18-34)36-30(39)32-27(33-36)23-9-5-2-6-10-23/h1-10,21,24-26H,11-20H2,(H,31,38)(H,32,33,39)
PDB

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UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.82E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217496
PNG
(CHEMBL235015 | N-((3S,6R)-1-(cyclopropylmethyl)-2-...)
Show SMILES O=C(N[C@H]1CC[C@@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C30H37N5O3/c36-28-27(13-12-23(22-6-2-1-3-7-22)19-34(28)18-21-10-11-21)32-29(37)33-16-14-25(15-17-33)35-20-24-8-4-5-9-26(24)31-30(35)38/h1-9,21,23,25,27H,10-20H2,(H,31,38)(H,32,37)/t23-,27-/m0/s1
PDB

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UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6.63E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair