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Compile Data Set for Download or QSAR

Found 1422 hits Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor'   
Target
(Institution)
LigandTarget
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))
BDBM50268472
PNG
((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C35H45N7O4/c1-24-19-25(20-27-22-36-38-32(24)27)21-31(33(43)40-15-9-28(10-16-40)39-13-5-2-6-14-39)46-35(45)41-17-11-29(12-18-41)42-23-26-7-3-4-8-30(26)37-34(42)44/h3-4,7-8,19-20,22,28-29,31H,2,5-6,9-18,21,23H2,1H3,(H,36,38)(H,37,44)/t31-/m1/s1
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n/an/a 0.0100n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50268471
PNG
((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C35H44FN7O4/c1-23-18-24(19-26-21-37-39-31(23)26)20-30(33(44)41-14-8-27(9-15-41)40-12-3-2-4-13-40)47-35(46)42-16-10-28(11-17-42)43-22-25-6-5-7-29(36)32(25)38-34(43)45/h5-7,18-19,21,27-28,30H,2-4,8-17,20,22H2,1H3,(H,37,39)(H,38,45)/t30-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50268474
PNG
((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C36H44N6O4/c1-24-19-25(20-28-23-37-39-33(24)28)21-32(35(44)41-17-11-29(12-18-41)40-13-5-2-6-14-40)46-36(45)42-15-9-26(10-16-42)30-22-27-7-3-4-8-31(27)38-34(30)43/h3-4,7-8,19-20,22-23,26,29,32H,2,5-6,9-18,21H2,1H3,(H,37,39)(H,38,43)/t32-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50380812
PNG
(CHEMBL2018517)
Show SMILES Cc1cc(C[C@@H](CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C36H47N7O3/c1-25-19-26(21-29-23-37-39-34(25)29)20-28(35(45)42-17-9-30(10-18-42)40-13-5-2-6-14-40)22-33(44)41-15-11-31(12-16-41)43-24-27-7-3-4-8-32(27)38-36(43)46/h3-4,7-8,19,21,23,28,30-31H,2,5-6,9-18,20,22,24H2,1H3,(H,37,39)(H,38,46)/t28-/m0/s1
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Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50184069
PNG
(CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1
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n/an/a 0.0200n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cells


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50268481
PNG
((R)-1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)C2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C36H44N6O4/c1-24-19-25(20-28-23-37-39-33(24)28)21-32(35(44)41-17-15-40(16-18-41)29-8-3-2-4-9-29)46-36(45)42-13-11-26(12-14-42)30-22-27-7-5-6-10-31(27)38-34(30)43/h5-7,10,19-20,22-23,26,29,32H,2-4,8-9,11-18,21H2,1H3,(H,37,39)(H,38,43)/t32-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50382779
PNG
(CHEMBL2022601)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(CN3CCCCC3)ccn2)cc2cn[nH]c12
Show InChI InChI=1S/C35H41N7O3/c1-24-17-26(18-28-21-37-39-33(24)28)20-32(31-19-25(9-12-36-31)22-40-13-5-2-6-14-40)45-35(44)41-15-10-29(11-16-41)42-23-27-7-3-4-8-30(27)38-34(42)43/h3-4,7-9,12,17-19,21,29,32H,2,5-6,10-11,13-16,20,22-23H2,1H3,(H,37,39)(H,38,43)
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Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50268473
PNG
((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)N2Cc3ccc(F)cc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C35H44FN7O4/c1-23-17-24(18-26-21-37-39-32(23)26)19-31(33(44)41-13-7-28(8-14-41)40-11-3-2-4-12-40)47-35(46)42-15-9-29(10-16-42)43-22-25-5-6-27(36)20-30(25)38-34(43)45/h5-6,17-18,20-21,28-29,31H,2-4,7-16,19,22H2,1H3,(H,37,39)(H,38,45)/t31-/m1/s1
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n/an/a 0.0220n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50268484
PNG
((R)-4-(8-Fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C35H45FN8O3/c1-23-18-24(19-26-21-37-40-31(23)26)20-30(33(45)42-14-8-27(9-15-42)41-12-3-2-4-13-41)38-34(46)43-16-10-28(11-17-43)44-22-25-6-5-7-29(36)32(25)39-35(44)47/h5-7,18-19,21,27-28,30H,2-4,8-17,20,22H2,1H3,(H,37,40)(H,38,46)(H,39,47)/t30-/m1/s1
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n/an/a 0.0260n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50184069
PNG
(CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1
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n/an/a 0.0300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human CGRP receptor


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173468
PNG
(4-(2-Oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m1/s1
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n/an/a 0.0300n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50382784
PNG
(CHEMBL2022606)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2cc(CN3CCCCCC3)ccn2)cc2cn[nH]c12
Show InChI InChI=1S/C37H42N6O3/c1-25-18-27(19-30-23-39-41-35(25)30)21-34(33-20-26(10-13-38-33)24-42-14-6-2-3-7-15-42)46-37(45)43-16-11-28(12-17-43)31-22-29-8-4-5-9-32(29)40-36(31)44/h4-5,8-10,13,18-20,22-23,28,34H,2-3,6-7,11-12,14-17,21,24H2,1H3,(H,39,41)(H,40,44)
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n/an/a 0.0420n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50268480
PNG
((2R)-3-(7-methyl-1H-indazol-5-yl)-1-(9-methyl-3,9-...)
Show SMILES CN1CCC2(CC1)CCN(CC2)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)OC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C36H44N6O4/c1-24-19-25(20-28-23-37-39-32(24)28)21-31(34(44)41-17-11-36(12-18-41)9-15-40(2)16-10-36)46-35(45)42-13-7-26(8-14-42)29-22-27-5-3-4-6-30(27)38-33(29)43/h3-6,19-20,22-23,26,31H,7-18,21H2,1-2H3,(H,37,39)(H,38,43)/t31-/m1/s1
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n/an/a 0.0440n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50380831
PNG
(CHEMBL2018507)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)n2cc([nH]c2=O)-c2ccccc2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C37H47N7O3/c1-26-20-27(22-30-24-38-40-35(26)30)21-29(36(46)43-18-10-31(11-19-43)41-14-6-3-7-15-41)23-34(45)42-16-12-32(13-17-42)44-25-33(39-37(44)47)28-8-4-2-5-9-28/h2,4-5,8-9,20,22,24-25,29,31-32H,3,6-7,10-19,21,23H2,1H3,(H,38,40)(H,39,47)
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n/an/a 0.0490n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173482
PNG
(4-(2-Oxo-4-phenyl-2,3-dihydro-imidazol-1-yl)-piper...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C39H47Br2N9O5/c40-30-22-26(23-31(41)35(30)51)24-33(45-38(54)49-16-11-29(12-17-49)50-25-34(46-39(50)55)27-6-2-1-3-7-27)36(52)44-32(8-4-5-13-42)37(53)48-20-18-47(19-21-48)28-9-14-43-15-10-28/h1-3,6-7,9-10,14-15,22-23,25,29,32-33,51H,4-5,8,11-13,16-21,24,42H2,(H,44,52)(H,45,54)(H,46,55)/t32-,33+/m1/s1
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n/an/a 0.0500n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50268479
PNG
((R)-1-(4-(5,6-dihydropyridin-1(2H)-yl)piperidin-1-...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC=CC2)cc2cn[nH]c12
Show InChI InChI=1S/C36H42N6O4/c1-24-19-25(20-28-23-37-39-33(24)28)21-32(35(44)41-17-11-29(12-18-41)40-13-5-2-6-14-40)46-36(45)42-15-9-26(10-16-42)30-22-27-7-3-4-8-31(27)38-34(30)43/h2-5,7-8,19-20,22-23,26,29,32H,6,9-18,21H2,1H3,(H,37,39)(H,38,43)/t32-/m1/s1
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n/an/a 0.0530n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50268475
PNG
((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3cccc(F)c3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C36H43FN6O4/c1-23-18-24(19-27-22-38-40-32(23)27)20-31(35(45)42-16-10-28(11-17-42)41-12-3-2-4-13-41)47-36(46)43-14-8-25(9-15-43)29-21-26-6-5-7-30(37)33(26)39-34(29)44/h5-7,18-19,21-22,25,28,31H,2-4,8-17,20H2,1H3,(H,38,40)(H,39,44)/t31-/m1/s1
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n/an/a 0.0570n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50380812
PNG
(CHEMBL2018517)
Show SMILES Cc1cc(C[C@@H](CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C36H47N7O3/c1-25-19-26(21-29-23-37-39-34(25)29)20-28(35(45)42-17-9-30(10-18-42)40-13-5-2-6-14-40)22-33(44)41-15-11-31(12-16-41)43-24-27-7-3-4-8-32(27)38-36(43)46/h3-4,7-8,19,21,23,28,30-31H,2,5-6,9-18,20,22,24H2,1H3,(H,37,39)(H,38,46)/t28-/m0/s1
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n/an/a 0.0600n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125]CGRP from human CGRP receptor expressed in human SK-N-MC cell membrane after 2 hrs by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173468
PNG
(4-(2-Oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m1/s1
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n/an/a 0.0600n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against calcitonin gene related peptide receptor (1 uM) in marmoset tissue homogenates using [125I]-CGRP as radioligand after 180 minutes of...


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50268482
PNG
((R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-(pyrid...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12
Show InChI InChI=1S/C35H37N7O4/c1-23-18-24(19-27-22-37-39-32(23)27)20-31(34(44)41-16-14-40(15-17-41)28-6-10-36-11-7-28)46-35(45)42-12-8-25(9-13-42)29-21-26-4-2-3-5-30(26)38-33(29)43/h2-7,10-11,18-19,21-22,25,31H,8-9,12-17,20H2,1H3,(H,37,39)(H,38,43)/t31-/m1/s1
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n/an/a 0.0630n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50382792
PNG
(CHEMBL2023189)
Show SMILES CN(C)C(=O)c1cc(Cl)nc(c1)[C@@H](Cc1cc(C)c2[nH]ncc2c1)OC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C33H33ClN6O4/c1-19-12-20(13-24-18-35-38-30(19)24)14-28(27-16-23(17-29(34)36-27)32(42)39(2)3)44-33(43)40-10-8-21(9-11-40)25-15-22-6-4-5-7-26(22)37-31(25)41/h4-7,12-13,15-18,21,28H,8-11,14H2,1-3H3,(H,35,38)(H,37,41)/t28-/m1/s1
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n/an/a 0.0640n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50380812
PNG
(CHEMBL2018517)
Show SMILES Cc1cc(C[C@@H](CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C36H47N7O3/c1-25-19-26(21-29-23-37-39-34(25)29)20-28(35(45)42-17-9-30(10-18-42)40-13-5-2-6-14-40)22-33(44)41-15-11-31(12-16-41)43-24-27-7-3-4-8-32(27)38-36(43)46/h3-4,7-8,19,21,23,28,30-31H,2,5-6,9-18,20,22,24H2,1H3,(H,37,39)(H,38,46)/t28-/m0/s1
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n/an/a 0.0680n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50268477
PNG
((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)n2cc([nH]c2=O)-c2ccccc2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C36H45N7O4/c1-25-20-26(21-28-23-37-39-33(25)28)22-32(34(44)41-16-10-29(11-17-41)40-14-6-3-7-15-40)47-36(46)42-18-12-30(13-19-42)43-24-31(38-35(43)45)27-8-4-2-5-9-27/h2,4-5,8-9,20-21,23-24,29-30,32H,3,6-7,10-19,22H2,1H3,(H,37,39)(H,38,45)/t32-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50382794
PNG
(CHEMBL2023191)
Show SMILES CN(C)C(=O)c1cc(Cl)nc(c1)C(Cc1cc(C)c2[nH]ncc2c1)OC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C30H31ClN8O4/c1-17-11-18(12-20-16-33-36-26(17)20)13-24(22-14-19(15-25(31)34-22)28(40)37(2)3)43-30(42)38-9-6-21(7-10-38)39-23-5-4-8-32-27(23)35-29(39)41/h4-5,8,11-12,14-16,21,24H,6-7,9-10,13H2,1-3H3,(H,33,36)(H,32,35,41)
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n/an/a 0.0710n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [I125]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs by gamma or scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50380812
PNG
(CHEMBL2018517)
Show SMILES Cc1cc(C[C@@H](CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C36H47N7O3/c1-25-19-26(21-29-23-37-39-34(25)29)20-28(35(45)42-17-9-30(10-18-42)40-13-5-2-6-14-40)22-33(44)41-15-11-31(12-16-41)43-24-27-7-3-4-8-32(27)38-36(43)46/h3-4,7-8,19,21,23,28,30-31H,2,5-6,9-18,20,22,24H2,1H3,(H,37,39)(H,38,46)/t28-/m0/s1
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n/an/a 0.0740n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125]CGRP from human CGRP receptor expressed in human SK-N-MC cell membrane after 2 hrs by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315401
PNG
((R)-1-((2'-oxo-1',2',6,8-tetrahydrospiro[cyclopent...)
Show SMILES O=C1Nc2ncccc2[C@]11Cc2cc3ccc(Cn4c5cccc6NC(=O)Cn(c56)c4=O)nc3cc2C1
Show InChI InChI=1S/C28H20N6O3/c35-23-14-34-24-20(31-23)4-1-5-22(24)33(27(34)37)13-18-7-6-15-9-16-11-28(12-17(16)10-21(15)30-18)19-3-2-8-29-25(19)32-26(28)36/h1-10H,11-14H2,(H,31,35)(H,29,32,36)/t28-/m1/s1
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n/an/a 0.0770n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human CLR expressed in human HEK293 cells coexpressing human RAMP1 assessed as Inhibition of CGRP-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50382792
PNG
(CHEMBL2023189)
Show SMILES CN(C)C(=O)c1cc(Cl)nc(c1)[C@@H](Cc1cc(C)c2[nH]ncc2c1)OC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C33H33ClN6O4/c1-19-12-20(13-24-18-35-38-30(19)24)14-28(27-16-23(17-29(34)36-27)32(42)39(2)3)44-33(43)40-10-8-21(9-11-40)25-15-22-6-4-5-7-26(22)37-31(25)41/h4-7,12-13,15-18,21,28H,8-11,14H2,1-3H3,(H,35,38)(H,37,41)/t28-/m1/s1
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n/an/a 0.0770n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [I125]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs by gamma or scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50441045
PNG
(CHEMBL2430167)
Show SMILES Cc1cc(Cn2ccnc2C(Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)cc(Cl)n1
Show InChI InChI=1S/C34H36ClN9O2/c1-21-13-23(15-26-18-37-41-31(21)26)16-29(32-36-9-12-43(32)19-24-14-22(2)38-30(35)17-24)40-33(45)42-10-7-27(8-11-42)44-20-25-5-3-4-6-28(25)39-34(44)46/h3-6,9,12-15,17-18,27,29H,7-8,10-11,16,19-20H2,1-2H3,(H,37,41)(H,39,46)(H,40,45)
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n/an/a 0.0780n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50380820
PNG
(CHEMBL2018519)
Show SMILES Cc1cc(C[C@@H](CC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C36H46FN7O3/c1-24-18-25(20-28-22-38-40-33(24)28)19-27(35(46)43-16-8-29(9-17-43)41-12-3-2-4-13-41)21-32(45)42-14-10-30(11-15-42)44-23-26-6-5-7-31(37)34(26)39-36(44)47/h5-7,18,20,22,27,29-30H,2-4,8-17,19,21,23H2,1H3,(H,38,40)(H,39,47)/t27-/m0/s1
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n/an/a 0.0820n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50380814
PNG
(CHEMBL2018505)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C36H46FN7O3/c1-24-18-25(20-28-22-38-40-33(24)28)19-27(35(46)43-16-8-29(9-17-43)41-12-3-2-4-13-41)21-32(45)42-14-10-30(11-15-42)44-23-26-6-5-7-31(37)34(26)39-36(44)47/h5-7,18,20,22,27,29-30H,2-4,8-17,19,21,23H2,1H3,(H,38,40)(H,39,47)
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n/an/a 0.0890n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50382793
PNG
(CHEMBL2023190)
Show SMILES CN(C)C(=O)c1cc(Cl)nc(c1)C(Cc1cc(C)c2[nH]ncc2c1)OC(=O)N1CCC(CC1)N1CCc2ccccc2NC1=O
Show InChI InChI=1S/C33H36ClN7O4/c1-20-14-21(15-24-19-35-38-30(20)24)16-28(27-17-23(18-29(34)36-27)31(42)39(2)3)45-33(44)40-11-9-25(10-12-40)41-13-8-22-6-4-5-7-26(22)37-32(41)43/h4-7,14-15,17-19,25,28H,8-13,16H2,1-3H3,(H,35,38)(H,37,43)
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n/an/a 0.0930n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [I125]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs by gamma or scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50382784
PNG
(CHEMBL2022606)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2cc(CN3CCCCCC3)ccn2)cc2cn[nH]c12
Show InChI InChI=1S/C37H42N6O3/c1-25-18-27(19-30-23-39-41-35(25)30)21-34(33-20-26(10-13-38-33)24-42-14-6-2-3-7-15-42)46-37(45)43-16-11-28(12-17-43)31-22-29-8-4-5-9-32(29)40-36(31)44/h4-5,8-10,13,18-20,22-23,28,34H,2-3,6-7,11-12,14-17,21,24H2,1H3,(H,39,41)(H,40,44)
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n/an/a 0.0950n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [I125]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs by gamma or scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440789
PNG
(CHEMBL2431248)
Show SMILES CN1C[C@](C)(N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C33H33F2N5O3/c1-31(22-13-23(34)15-24(35)14-22)19-39(2)33(9-3-4-10-33)30(43)40(31)18-27(41)37-25-8-7-20-16-32(17-21(20)12-25)26-6-5-11-36-28(26)38-29(32)42/h5-8,11-15H,3-4,9-10,16-19H2,1-2H3,(H,37,41)(H,36,38,42)/t31-,32+/m0/s1
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n/an/a 0.0970n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at CGRP receptor (unknown origin) by cell based cAMP assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50382778
PNG
(CHEMBL2022600)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(ccn2)C(=O)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C35H39N7O4/c1-23-17-24(18-27-21-37-39-32(23)27)19-31(30-20-25(9-12-36-30)33(43)40-13-5-2-6-14-40)46-35(45)41-15-10-28(11-16-41)42-22-26-7-3-4-8-29(26)38-34(42)44/h3-4,7-9,12,17-18,20-21,28,31H,2,5-6,10-11,13-16,19,22H2,1H3,(H,37,39)(H,38,44)
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n/an/a 0.0990n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50382779
PNG
(CHEMBL2022601)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(CN3CCCCC3)ccn2)cc2cn[nH]c12
Show InChI InChI=1S/C35H41N7O3/c1-24-17-26(18-28-21-37-39-33(24)28)20-32(31-19-25(9-12-36-31)22-40-13-5-2-6-14-40)45-35(44)41-15-10-29(11-16-41)42-23-27-7-3-4-8-30(27)38-34(42)43/h3-4,7-9,12,17-19,21,29,32H,2,5-6,10-11,13-16,20,22-23H2,1H3,(H,37,39)(H,38,43)
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n/an/a 0.100n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [I125]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs by gamma or scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50184069
PNG
(CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CLR/RAMP1 receptor expressed in E10 cells measured as inhibition of CGRP-mediated cAMP production


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50382781
PNG
(CHEMBL2022603)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2cc(CN3CCCCC3)ccn2)cc2cn[nH]c12
Show InChI InChI=1S/C36H40N6O3/c1-24-17-26(18-29-22-38-40-34(24)29)20-33(32-19-25(9-12-37-32)23-41-13-5-2-6-14-41)45-36(44)42-15-10-27(11-16-42)30-21-28-7-3-4-8-31(28)39-35(30)43/h3-4,7-9,12,17-19,21-22,27,33H,2,5-6,10-11,13-16,20,23H2,1H3,(H,38,40)(H,39,43)
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n/an/a 0.100n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production


Citation and Details
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
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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50380832
PNG
(CHEMBL2018508)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C37H46N6O3/c1-25-19-26(21-30-24-38-40-35(25)30)20-29(37(46)43-17-11-31(12-18-43)41-13-5-2-6-14-41)23-34(44)42-15-9-27(10-16-42)32-22-28-7-3-4-8-33(28)39-36(32)45/h3-4,7-8,19,21-22,24,27,29,31H,2,5-6,9-18,20,23H2,1H3,(H,38,40)(H,39,45)
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Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50441046
PNG
(CHEMBL2430169)
Show SMILES Cc1cc(Cn2ccnc2C(Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)ccn1
Show InChI InChI=1S/C34H37N9O2/c1-22-15-25(17-27-19-37-40-31(22)27)18-30(32-36-11-14-42(32)20-24-7-10-35-23(2)16-24)39-33(44)41-12-8-28(9-13-41)43-21-26-5-3-4-6-29(26)38-34(43)45/h3-7,10-11,14-17,19,28,30H,8-9,12-13,18,20-21H2,1-2H3,(H,37,40)(H,38,45)(H,39,44)
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n/an/a 0.130n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50268483
PNG
((R)-1-(4-(4-fluorophenyl)piperazin-1-yl)-3-(7-meth...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc2cn[nH]c12
Show InChI InChI=1S/C36H37FN6O4/c1-23-18-24(19-27-22-38-40-33(23)27)20-32(35(45)42-16-14-41(15-17-42)29-8-6-28(37)7-9-29)47-36(46)43-12-10-25(11-13-43)30-21-26-4-2-3-5-31(26)39-34(30)44/h2-9,18-19,21-22,25,32H,10-17,20H2,1H3,(H,38,40)(H,39,44)/t32-/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50380831
PNG
(CHEMBL2018507)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)n2cc([nH]c2=O)-c2ccccc2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C37H47N7O3/c1-26-20-27(22-30-24-38-40-35(26)30)21-29(36(46)43-18-10-31(11-19-43)41-14-6-3-7-15-41)23-34(45)42-16-12-32(13-17-42)44-25-33(39-37(44)47)28-8-4-2-5-9-28/h2,4-5,8-9,20,22,24-25,29,31-32H,3,6-7,10-19,21,23H2,1H3,(H,38,40)(H,39,47)
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n/an/a 0.150n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125]CGRP from human CGRP receptor expressed in human SK-N-MC cell membrane after 2 hrs by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50382781
PNG
(CHEMBL2022603)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2cc(CN3CCCCC3)ccn2)cc2cn[nH]c12
Show InChI InChI=1S/C36H40N6O3/c1-24-17-26(18-29-22-38-40-34(24)29)20-33(32-19-25(9-12-37-32)23-41-13-5-2-6-14-41)45-36(44)42-15-10-27(11-16-42)30-21-28-7-3-4-8-31(28)39-35(30)43/h3-4,7-9,12,17-19,21-22,27,33H,2,5-6,10-11,13-16,20,23H2,1H3,(H,38,40)(H,39,43)
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n/an/a 0.160n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [I125]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs by gamma or scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50380814
PNG
(CHEMBL2018505)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C36H46FN7O3/c1-24-18-25(20-28-22-38-40-33(24)28)19-27(35(46)43-16-8-29(9-17-43)41-12-3-2-4-13-41)21-32(45)42-14-10-30(11-15-42)44-23-26-6-5-7-31(37)34(26)39-36(44)47/h5-7,18,20,22,27,29-30H,2-4,8-17,19,21,23H2,1H3,(H,38,40)(H,39,47)
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n/an/a 0.180n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125]CGRP from human CGRP receptor expressed in human SK-N-MC cell membrane after 2 hrs by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50268476
PNG
((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3cn2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C36H44N6O3/c1-25-19-26(20-30-24-38-39-34(25)30)21-33(35(43)41-17-11-31(12-18-41)40-13-5-2-6-14-40)45-36(44)42-15-9-27(10-16-42)32-22-28-7-3-4-8-29(28)23-37-32/h3-4,7-8,19-20,22-24,27,31,33H,2,5-6,9-18,21H2,1H3,(H,38,39)/t33-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50441032
PNG
(CHEMBL2430177)
Show SMILES Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2nccn2Cc2ccc(cc2)C(C)(C)C)cc2cn[nH]c12
Show InChI InChI=1S/C38H44N8O2/c1-25-19-27(20-29-22-40-43-34(25)29)21-33(35-39-15-18-45(35)23-26-9-11-30(12-10-26)38(2,3)4)42-36(47)44-16-13-31(14-17-44)46-24-28-7-5-6-8-32(28)41-37(46)48/h5-12,15,18-20,22,31,33H,13-14,16-17,21,23-24H2,1-4H3,(H,40,43)(H,41,48)(H,42,47)
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n/an/a 0.190n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50380820
PNG
(CHEMBL2018519)
Show SMILES Cc1cc(C[C@@H](CC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C36H46FN7O3/c1-24-18-25(20-28-22-38-40-33(24)28)19-27(35(46)43-16-8-29(9-17-43)41-12-3-2-4-13-41)21-32(45)42-14-10-30(11-15-42)44-23-26-6-5-7-31(37)34(26)39-36(44)47/h5-7,18,20,22,27,29-30H,2-4,8-17,19,21,23H2,1H3,(H,38,40)(H,39,47)/t27-/m0/s1
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Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125]CGRP from human CGRP receptor expressed in human SK-N-MC cell membrane after 2 hrs by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173475
PNG
(4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C37H45Br2N9O5/c38-27-21-24(22-28(39)33(27)49)23-31(44-36(52)47-15-10-26(11-16-47)48-32-7-2-1-5-29(32)43-37(48)53)34(50)42-30(6-3-4-12-40)35(51)46-19-17-45(18-20-46)25-8-13-41-14-9-25/h1-2,5,7-9,13-14,21-22,26,30-31,49H,3-4,6,10-12,15-20,23,40H2,(H,42,50)(H,43,53)(H,44,52)/t30-,31+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


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Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342639
PNG
(CHEMBL1770729 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES CC1(CCCO1)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc21
Show InChI InChI=1S/C31H34F2N6O4/c1-30(10-4-16-42-30)24-17-35-27-23(9-8-19(18-39(24)27)20-5-2-7-22(32)25(20)33)36-28(40)38-14-11-31(12-15-38)21-6-3-13-34-26(21)37-29(41)43-31/h2-3,5-7,13,17,19,23H,4,8-12,14-16,18H2,1H3,(H,36,40)(H,34,37,41)/t19-,23-,30?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50382796
PNG
(CHEMBL2024603)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(C=O)ccn2)cc2cn[nH]c12
Show InChI InChI=1S/C30H30N6O4/c1-19-12-21(13-23-16-32-34-28(19)23)15-27(26-14-20(18-37)6-9-31-26)40-30(39)35-10-7-24(8-11-35)36-17-22-4-2-3-5-25(22)33-29(36)38/h2-6,9,12-14,16,18,24,27H,7-8,10-11,15,17H2,1H3,(H,32,34)(H,33,38)
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Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [I125]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs by gamma or scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
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