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PubMed code 22429470

Compile data set for download or QSAR
Found 75 hits of Enzyme Inhibition Constant Data   
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))		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 |r|
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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 0.0130n/an/an/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
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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 0.180n/an/an/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 in presence of plasma

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382791
PNG
(CHEMBL2023188)
Show SMILES CN(C)C(=O)c1cc(Cl)nc(c1)C(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)
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 3.30n/an/an/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 in presence of plasma

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
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 0.0200n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
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 |r|
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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
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 |r|
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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
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 0.100n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
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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n/an/a 0.210n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382782
PNG
(CHEMBL2022604)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2cc(CN3CCCC3)ccn2)cc2cn[nH]c12
Show InChI InChI=1S/C35H38N6O3/c1-23-16-25(17-28-21-37-39-33(23)28)19-32(31-18-24(8-11-36-31)22-40-12-4-5-13-40)44-35(43)41-14-9-26(10-15-41)29-20-27-6-2-3-7-30(27)38-34(29)42/h2-3,6-8,11,16-18,20-21,26,32H,4-5,9-10,12-15,19,22H2,1H3,(H,37,39)(H,38,42)
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n/an/a 0.240n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382787
PNG
(CHEMBL2022609)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2c(n[nH]c12)-c1ccccc1
Show InChI InChI=1S/C35H34N6O3/c1-23-19-24(20-28-32(23)38-39-33(28)25-9-3-2-4-10-25)21-31(30-13-7-8-16-36-30)44-35(43)40-17-14-27(15-18-40)41-22-26-11-5-6-12-29(26)37-34(41)42/h2-13,16,19-20,27,31H,14-15,17-18,21-22H2,1H3,(H,37,42)(H,38,39)
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n/an/a 0.240n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382777
PNG
(CHEMBL2022599)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(ccn2)-c2ccncc2)cc2cn[nH]c12
Show InChI InChI=1S/C34H33N7O3/c1-22-16-23(17-27-20-37-39-32(22)27)18-31(30-19-25(8-13-36-30)24-6-11-35-12-7-24)44-34(43)40-14-9-28(10-15-40)41-21-26-4-2-3-5-29(26)38-33(41)42/h2-8,11-13,16-17,19-20,28,31H,9-10,14-15,18,21H2,1H3,(H,37,39)(H,38,42)
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n/an/a 0.270n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382791
PNG
(CHEMBL2023188)
Show SMILES CN(C)C(=O)c1cc(Cl)nc(c1)C(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)
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n/an/a 0.280n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
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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n/an/a 0.280n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
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 0.280n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382776
PNG
(CHEMBL2022598)
Show SMILES CN(C)C(=O)c1ccnc(c1)C(Cc1cc(C)c2[nH]ncc2c1)OC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C32H35N7O4/c1-20-14-21(15-24-18-34-36-29(20)24)16-28(27-17-22(8-11-33-27)30(40)37(2)3)43-32(42)38-12-9-25(10-13-38)39-19-23-6-4-5-7-26(23)35-31(39)41/h4-8,11,14-15,17-18,25,28H,9-10,12-13,16,19H2,1-3H3,(H,34,36)(H,35,41)
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n/an/a 0.330n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382785
PNG
(CHEMBL2022607)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2c(Br)n[nH]c12
Show InChI InChI=1S/C29H29BrN6O3/c1-18-14-19(15-22-26(18)33-34-27(22)30)16-25(24-8-4-5-11-31-24)39-29(38)35-12-9-21(10-13-35)36-17-20-6-2-3-7-23(20)32-28(36)37/h2-8,11,14-15,21,25H,9-10,12-13,16-17H2,1H3,(H,32,37)(H,33,34)
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n/an/a 0.330n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382791
PNG
(CHEMBL2023188)
Show SMILES CN(C)C(=O)c1cc(Cl)nc(c1)C(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)
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n/an/a 0.340n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382765
PNG
(CHEMBL2024595)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cccc(Br)n2)cc2cn[nH]c12
Show InChI InChI=1S/C29H29BrN6O3/c1-18-13-19(14-21-16-31-34-27(18)21)15-25(24-7-4-8-26(30)32-24)39-29(38)35-11-9-22(10-12-35)36-17-20-5-2-3-6-23(20)33-28(36)37/h2-8,13-14,16,22,25H,9-12,15,17H2,1H3,(H,31,34)(H,33,37)
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n/an/a 0.380n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382786
PNG
(CHEMBL2022608)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2c(Cl)n[nH]c12
Show InChI InChI=1S/C29H29ClN6O3/c1-18-14-19(15-22-26(18)33-34-27(22)30)16-25(24-8-4-5-11-31-24)39-29(38)35-12-9-21(10-13-35)36-17-20-6-2-3-7-23(20)32-28(36)37/h2-8,11,14-15,21,25H,9-10,12-13,16-17H2,1H3,(H,32,37)(H,33,34)
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n/an/a 0.390n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382765
PNG
(CHEMBL2024595)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cccc(Br)n2)cc2cn[nH]c12
Show InChI InChI=1S/C29H29BrN6O3/c1-18-13-19(14-21-16-31-34-27(18)21)15-25(24-7-4-8-26(30)32-24)39-29(38)35-11-9-22(10-12-35)36-17-20-5-2-3-6-23(20)33-28(36)37/h2-8,13-14,16,22,25H,9-12,15,17H2,1H3,(H,31,34)(H,33,37)
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n/an/a 0.460n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382769
PNG
(CHEMBL2024599)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc3ccccc3cn2)cc2cn[nH]c12
Show InChI InChI=1S/C33H32N6O3/c1-21-14-22(15-26-19-35-37-31(21)26)16-30(29-17-23-6-2-3-7-24(23)18-34-29)42-33(41)38-12-10-27(11-13-38)39-20-25-8-4-5-9-28(25)36-32(39)40/h2-9,14-15,17-19,27,30H,10-13,16,20H2,1H3,(H,35,37)(H,36,40)
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n/an/a 0.460n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382764
PNG
(CHEMBL2024594)
Show SMILES Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cccc(Br)n2)cc2cn[nH]c12
Show InChI InChI=1S/C29H30BrN7O2/c1-18-13-19(14-21-16-31-35-27(18)21)15-25(24-7-4-8-26(30)32-24)34-28(38)36-11-9-22(10-12-36)37-17-20-5-2-3-6-23(20)33-29(37)39/h2-8,13-14,16,22,25H,9-12,15,17H2,1H3,(H,31,35)(H,33,39)(H,34,38)
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n/an/a 0.490n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382769
PNG
(CHEMBL2024599)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc3ccccc3cn2)cc2cn[nH]c12
Show InChI InChI=1S/C33H32N6O3/c1-21-14-22(15-26-19-35-37-31(21)26)16-30(29-17-23-6-2-3-7-24(23)18-34-29)42-33(41)38-12-10-27(11-13-38)39-20-25-8-4-5-9-28(25)36-32(39)40/h2-9,14-15,17-19,27,30H,10-13,16,20H2,1H3,(H,35,37)(H,36,40)
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n/an/a 0.630n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382768
PNG
(CHEMBL2024598)
Show SMILES Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc3ccccc3cn2)cc2cn[nH]c12
Show InChI InChI=1S/C33H33N7O2/c1-21-14-22(15-26-19-35-38-31(21)26)16-30(29-17-23-6-2-3-7-24(23)18-34-29)37-32(41)39-12-10-27(11-13-39)40-20-25-8-4-5-9-28(25)36-33(40)42/h2-9,14-15,17-19,27,30H,10-13,16,20H2,1H3,(H,35,38)(H,36,42)(H,37,41)
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n/an/a 0.820n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382764
PNG
(CHEMBL2024594)
Show SMILES Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cccc(Br)n2)cc2cn[nH]c12
Show InChI InChI=1S/C29H30BrN7O2/c1-18-13-19(14-21-16-31-35-27(18)21)15-25(24-7-4-8-26(30)32-24)34-28(38)36-11-9-22(10-12-36)37-17-20-5-2-3-6-23(20)33-29(37)39/h2-8,13-14,16,22,25H,9-12,15,17H2,1H3,(H,31,35)(H,33,39)(H,34,38)
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n/an/a 0.820n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382759
PNG
(CHEMBL2024589)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccc(C=O)cn2)cc2cn[nH]c12
Show InChI InChI=1S/C31H32N6O3/c1-20-12-22(14-25-17-33-35-30(20)25)13-24(27-7-6-21(19-38)16-32-27)15-29(39)36-10-8-26(9-11-36)37-18-23-4-2-3-5-28(23)34-31(37)40/h2-7,12,14,16-17,19,24,26H,8-11,13,15,18H2,1H3,(H,33,35)(H,34,40)
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n/an/a 0.940n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382768
PNG
(CHEMBL2024598)
Show SMILES Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc3ccccc3cn2)cc2cn[nH]c12
Show InChI InChI=1S/C33H33N7O2/c1-21-14-22(15-26-19-35-38-31(21)26)16-30(29-17-23-6-2-3-7-24(23)18-34-29)37-32(41)39-12-10-27(11-13-39)40-20-25-8-4-5-9-28(25)36-33(40)42/h2-9,14-15,17-19,27,30H,10-13,16,20H2,1H3,(H,35,38)(H,36,42)(H,37,41)
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n/an/a 1n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382759
PNG
(CHEMBL2024589)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccc(C=O)cn2)cc2cn[nH]c12
Show InChI InChI=1S/C31H32N6O3/c1-20-12-22(14-25-17-33-35-30(20)25)13-24(27-7-6-21(19-38)16-32-27)15-29(39)36-10-8-26(9-11-36)37-18-23-4-2-3-5-28(23)34-31(37)40/h2-7,12,14,16-17,19,24,26H,8-11,13,15,18H2,1H3,(H,33,35)(H,34,40)
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n/an/a 1.10n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382783
PNG
(CHEMBL2022605)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2cc(CN3CCOCC3)ccn2)cc2cn[nH]c12
Show InChI InChI=1S/C35H38N6O4/c1-23-16-25(17-28-21-37-39-33(23)28)19-32(31-18-24(6-9-36-31)22-40-12-14-44-15-13-40)45-35(43)41-10-7-26(8-11-41)29-20-27-4-2-3-5-30(27)38-34(29)42/h2-6,9,16-18,20-21,26,32H,7-8,10-15,19,22H2,1H3,(H,37,39)(H,38,42)
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n/an/a 1.20n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382788
PNG
(CHEMBL2022610)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2c(C=O)n[nH]c12
Show InChI InChI=1S/C30H30N6O4/c1-19-14-20(15-23-26(18-37)33-34-28(19)23)16-27(25-8-4-5-11-31-25)40-30(39)35-12-9-22(10-13-35)36-17-21-6-2-3-7-24(21)32-29(36)38/h2-8,11,14-15,18,22,27H,9-10,12-13,16-17H2,1H3,(H,32,38)(H,33,34)
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n/an/a 1.30n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382760
PNG
(CHEMBL2024590)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccc(CN3CCCCC3)cn2)cc2cn[nH]c12
Show InChI InChI=1S/C36H43N7O2/c1-25-17-27(19-30-22-38-40-35(25)30)18-29(32-10-9-26(21-37-32)23-41-13-5-2-6-14-41)20-34(44)42-15-11-31(12-16-42)43-24-28-7-3-4-8-33(28)39-36(43)45/h3-4,7-10,17,19,21-22,29,31H,2,5-6,11-16,18,20,23-24H2,1H3,(H,38,40)(H,39,45)
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n/an/a 1.30n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382766
PNG
(CHEMBL2024596)
Show SMILES Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccc3ccccc3n2)cc2cn[nH]c12
Show InChI InChI=1S/C33H33N7O2/c1-21-16-22(17-25-19-34-38-31(21)25)18-30(29-11-10-23-6-2-4-8-27(23)35-29)37-32(41)39-14-12-26(13-15-39)40-20-24-7-3-5-9-28(24)36-33(40)42/h2-11,16-17,19,26,30H,12-15,18,20H2,1H3,(H,34,38)(H,36,42)(H,37,41)
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n/an/a 1.40n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382767
PNG
(CHEMBL2024597)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccc3ccccc3n2)cc2cn[nH]c12
Show InChI InChI=1S/C33H32N6O3/c1-21-16-22(17-25-19-34-37-31(21)25)18-30(29-11-10-23-6-2-4-8-27(23)35-29)42-33(41)38-14-12-26(13-15-38)39-20-24-7-3-5-9-28(24)36-32(39)40/h2-11,16-17,19,26,30H,12-15,18,20H2,1H3,(H,34,37)(H,36,40)
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n/an/a 1.40n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382763
PNG
(CHEMBL2024593)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2cn[nH]c12
Show InChI InChI=1S/C29H30N6O3/c1-19-14-20(15-22-17-31-33-27(19)22)16-26(25-8-4-5-11-30-25)38-29(37)34-12-9-23(10-13-34)35-18-21-6-2-3-7-24(21)32-28(35)36/h2-8,11,14-15,17,23,26H,9-10,12-13,16,18H2,1H3,(H,31,33)(H,32,36)
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n/an/a 1.5n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382760
PNG
(CHEMBL2024590)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccc(CN3CCCCC3)cn2)cc2cn[nH]c12
Show InChI InChI=1S/C36H43N7O2/c1-25-17-27(19-30-22-38-40-35(25)30)18-29(32-10-9-26(21-37-32)23-41-13-5-2-6-14-41)20-34(44)42-15-11-31(12-16-42)43-24-28-7-3-4-8-33(28)39-36(43)45/h3-4,7-10,17,19,21-22,29,31H,2,5-6,11-16,18,20,23-24H2,1H3,(H,38,40)(H,39,45)
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n/an/a 1.80n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382790
PNG
(CHEMBL2023186)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2c(CN3CCOCC3)n[nH]c12
Show InChI InChI=1S/C34H39N7O4/c1-23-18-24(19-27-30(37-38-32(23)27)22-39-14-16-44-17-15-39)20-31(29-8-4-5-11-35-29)45-34(43)40-12-9-26(10-13-40)41-21-25-6-2-3-7-28(25)36-33(41)42/h2-8,11,18-19,26,31H,9-10,12-17,20-22H2,1H3,(H,36,42)(H,37,38)
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n/an/a 1.90n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382763
PNG
(CHEMBL2024593)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2cn[nH]c12
Show InChI InChI=1S/C29H30N6O3/c1-19-14-20(15-22-17-31-33-27(19)22)16-26(25-8-4-5-11-30-25)38-29(37)34-12-9-23(10-13-34)35-18-21-6-2-3-7-24(21)32-28(35)36/h2-8,11,14-15,17,23,26H,9-10,12-13,16,18H2,1H3,(H,31,33)(H,32,36)
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n/an/a 1.90n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382766
PNG
(CHEMBL2024596)
Show SMILES Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccc3ccccc3n2)cc2cn[nH]c12
Show InChI InChI=1S/C33H33N7O2/c1-21-16-22(17-25-19-34-38-31(21)25)18-30(29-11-10-23-6-2-4-8-27(23)35-29)37-32(41)39-14-12-26(13-15-39)40-20-24-7-3-5-9-28(24)36-33(40)42/h2-11,16-17,19,26,30H,12-15,18,20H2,1H3,(H,34,38)(H,36,42)(H,37,41)
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n/an/a 2n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382772
PNG
(CHEMBL2024602)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(CO)ccn2)cc2cn[nH]c12
Show InChI InChI=1S/C30H32N6O4/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/h2-6,9,12-14,16,24,27,37H,7-8,10-11,15,17-18H2,1H3,(H,32,34)(H,33,38)
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n/an/a 2n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382772
PNG
(CHEMBL2024602)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(CO)ccn2)cc2cn[nH]c12
Show InChI InChI=1S/C30H32N6O4/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/h2-6,9,12-14,16,24,27,37H,7-8,10-11,15,17-18H2,1H3,(H,32,34)(H,33,38)
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n/an/a 2.10n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382775
PNG
(CHEMBL2022597)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(ccn2)C#N)cc2cn[nH]c12
Show InChI InChI=1S/C30H29N7O3/c1-19-12-21(13-23-17-33-35-28(19)23)15-27(26-14-20(16-31)6-9-32-26)40-30(39)36-10-7-24(8-11-36)37-18-22-4-2-3-5-25(22)34-29(37)38/h2-6,9,12-14,17,24,27H,7-8,10-11,15,18H2,1H3,(H,33,35)(H,34,38)
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n/an/a 3n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382762
PNG
(CHEMBL2024592)
Show SMILES Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2cn[nH]c12
Show InChI InChI=1S/C29H31N7O2/c1-19-14-20(15-22-17-31-34-27(19)22)16-26(25-8-4-5-11-30-25)33-28(37)35-12-9-23(10-13-35)36-18-21-6-2-3-7-24(21)32-29(36)38/h2-8,11,14-15,17,23,26H,9-10,12-13,16,18H2,1H3,(H,31,34)(H,32,38)(H,33,37)
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n/an/a 3.10n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382771
PNG
(CHEMBL2024601)
Show SMILES Cc1cccc(n1)C(Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C30H33N7O2/c1-19-14-21(15-23-17-31-35-28(19)23)16-27(26-9-5-6-20(2)32-26)34-29(38)36-12-10-24(11-13-36)37-18-22-7-3-4-8-25(22)33-30(37)39/h3-9,14-15,17,24,27H,10-13,16,18H2,1-2H3,(H,31,35)(H,33,39)(H,34,38)
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n/an/a 3.40n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382771
PNG
(CHEMBL2024601)
Show SMILES Cc1cccc(n1)C(Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C30H33N7O2/c1-19-14-21(15-23-17-31-35-28(19)23)16-27(26-9-5-6-20(2)32-26)34-29(38)36-12-10-24(11-13-36)37-18-22-7-3-4-8-25(22)33-30(37)39/h3-9,14-15,17,24,27H,10-13,16,18H2,1-2H3,(H,31,35)(H,33,39)(H,34,38)
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n/an/a 3.80n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382762
PNG
(CHEMBL2024592)
Show SMILES Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2cn[nH]c12
Show InChI InChI=1S/C29H31N7O2/c1-19-14-20(15-22-17-31-34-27(19)22)16-26(25-8-4-5-11-30-25)33-28(37)35-12-9-23(10-13-35)36-18-21-6-2-3-7-24(21)32-29(36)38/h2-8,11,14-15,17,23,26H,9-10,12-13,16,18H2,1H3,(H,31,34)(H,32,38)(H,33,37)
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n/an/a 4.10n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382756
PNG
(CHEMBL2024173)
Show SMILES Cc1cccnc1C(CC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)Cc1cc(C)c2[nH]ncc2c1
Show InChI InChI=1S/C31H34N6O2/c1-20-6-5-11-32-29(20)24(15-22-14-21(2)30-25(16-22)18-33-35-30)17-28(38)36-12-9-26(10-13-36)37-19-23-7-3-4-8-27(23)34-31(37)39/h3-8,11,14,16,18,24,26H,9-10,12-13,15,17,19H2,1-2H3,(H,33,35)(H,34,39)
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n/an/a 4.40n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382774
PNG
(CHEMBL2022596)
Show SMILES COC(=O)c1ccnc(c1)C(Cc1cc(C)c2[nH]ncc2c1)OC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C31H32N6O5/c1-19-13-20(14-23-17-33-35-28(19)23)15-27(26-16-21(7-10-32-26)29(38)41-2)42-31(40)36-11-8-24(9-12-36)37-18-22-5-3-4-6-25(22)34-30(37)39/h3-7,10,13-14,16-17,24,27H,8-9,11-12,15,18H2,1-2H3,(H,33,35)(H,34,39)
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n/an/a 4.40n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382767
PNG
(CHEMBL2024597)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccc3ccccc3n2)cc2cn[nH]c12
Show InChI InChI=1S/C33H32N6O3/c1-21-16-22(17-25-19-34-37-31(21)25)18-30(29-11-10-23-6-2-4-8-27(23)35-29)42-33(41)38-14-12-26(13-15-38)39-20-24-7-3-5-9-28(24)36-32(39)40/h2-11,16-17,19,26,30H,12-15,18,20H2,1H3,(H,34,37)(H,36,40)
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n/an/a 4.80n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382758
PNG
(CHEMBL2024588)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccc(CO)cn2)cc2cn[nH]c12
Show InChI InChI=1S/C31H34N6O3/c1-20-12-22(14-25-17-33-35-30(20)25)13-24(27-7-6-21(19-38)16-32-27)15-29(39)36-10-8-26(9-11-36)37-18-23-4-2-3-5-28(23)34-31(37)40/h2-7,12,14,16-17,24,26,38H,8-11,13,15,18-19H2,1H3,(H,33,35)(H,34,40)
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n/an/a 6n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382789
PNG
(CHEMBL2023185)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2c(CN3CCCCC3)n[nH]c12
Show InChI InChI=1S/C35H41N7O3/c1-24-19-25(20-28-31(38-39-33(24)28)23-40-15-7-2-8-16-40)21-32(30-11-5-6-14-36-30)45-35(44)41-17-12-27(13-18-41)42-22-26-9-3-4-10-29(26)37-34(42)43/h3-6,9-11,14,19-20,27,32H,2,7-8,12-13,15-18,21-23H2,1H3,(H,37,43)(H,38,39)
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n/an/a 6.60n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382797
PNG
(CHEMBL2023187)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2c(CN3CCCC3)n[nH]c12
Show InChI InChI=1S/C34H39N7O3/c1-23-18-24(19-27-30(37-38-32(23)27)22-39-14-6-7-15-39)20-31(29-10-4-5-13-35-29)44-34(43)40-16-11-26(12-17-40)41-21-25-8-2-3-9-28(25)36-33(41)42/h2-5,8-10,13,18-19,26,31H,6-7,11-12,14-17,20-22H2,1H3,(H,36,42)(H,37,38)
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n/an/a 6.80n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382758
PNG
(CHEMBL2024588)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccc(CO)cn2)cc2cn[nH]c12
Show InChI InChI=1S/C31H34N6O3/c1-20-12-22(14-25-17-33-35-30(20)25)13-24(27-7-6-21(19-38)16-32-27)15-29(39)36-10-8-26(9-11-36)37-18-23-4-2-3-5-28(23)34-31(37)40/h2-7,12,14,16-17,24,26,38H,8-11,13,15,18-19H2,1H3,(H,33,35)(H,34,40)
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n/an/a 7.90n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382756
PNG
(CHEMBL2024173)
Show SMILES Cc1cccnc1C(CC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)Cc1cc(C)c2[nH]ncc2c1
Show InChI InChI=1S/C31H34N6O2/c1-20-6-5-11-32-29(20)24(15-22-14-21(2)30-25(16-22)18-33-35-30)17-28(38)36-12-9-26(10-13-36)37-19-23-7-3-4-8-27(23)34-31(37)39/h3-8,11,14,16,18,24,26H,9-10,12-13,15,17,19H2,1-2H3,(H,33,35)(H,34,39)
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n/an/a 8.20n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382754
PNG
(CHEMBL2024170)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2cn[nH]c12
Show InChI InChI=1S/C30H32N6O2/c1-20-14-21(16-24-18-32-34-29(20)24)15-23(26-7-4-5-11-31-26)17-28(37)35-12-9-25(10-13-35)36-19-22-6-2-3-8-27(22)33-30(36)38/h2-8,11,14,16,18,23,25H,9-10,12-13,15,17,19H2,1H3,(H,32,34)(H,33,38)
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n/an/a 8.60n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382754
PNG
(CHEMBL2024170)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2cn[nH]c12
Show InChI InChI=1S/C30H32N6O2/c1-20-14-21(16-24-18-32-34-29(20)24)15-23(26-7-4-5-11-31-26)17-28(37)35-12-9-25(10-13-35)36-19-22-6-2-3-8-27(22)33-30(36)38/h2-8,11,14,16,18,23,25H,9-10,12-13,15,17,19H2,1H3,(H,32,34)(H,33,38)
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n/an/a 8.70n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382795
PNG
(CHEMBL2024172)
Show SMILES CCc1ccnc(c1)C(CC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)Cc1cc(C)c2[nH]ncc2c1
Show InChI InChI=1S/C32H36N6O2/c1-3-22-8-11-33-29(17-22)25(15-23-14-21(2)31-26(16-23)19-34-36-31)18-30(39)37-12-9-27(10-13-37)38-20-24-6-4-5-7-28(24)35-32(38)40/h4-8,11,14,16-17,19,25,27H,3,9-10,12-13,15,18,20H2,1-2H3,(H,34,36)(H,35,40)
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n/an/a 10n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382770
PNG
(CHEMBL2024600)
Show SMILES Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cccc(n2)-c2ccccc2)cc2cn[nH]c12
Show InChI InChI=1S/C35H35N7O2/c1-23-18-24(19-27-21-36-40-33(23)27)20-32(31-13-7-12-29(37-31)25-8-3-2-4-9-25)39-34(43)41-16-14-28(15-17-41)42-22-26-10-5-6-11-30(26)38-35(42)44/h2-13,18-19,21,28,32H,14-17,20,22H2,1H3,(H,36,40)(H,38,44)(H,39,43)
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n/an/a 12n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382757
PNG
(CHEMBL2024587)
Show SMILES Cc1ccc(nc1)C(CC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)Cc1cc(C)c2[nH]ncc2c1
Show InChI InChI=1S/C31H34N6O2/c1-20-7-8-27(32-17-20)24(14-22-13-21(2)30-25(15-22)18-33-35-30)16-29(38)36-11-9-26(10-12-36)37-19-23-5-3-4-6-28(23)34-31(37)39/h3-8,13,15,17-18,24,26H,9-12,14,16,19H2,1-2H3,(H,33,35)(H,34,39)
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n/an/a 12n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382780
PNG
(CHEMBL2022602)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2ccccn2)cc2cn[nH]c12
Show InChI InChI=1S/C30H29N5O3/c1-19-14-20(15-23-18-32-34-28(19)23)16-27(26-8-4-5-11-31-26)38-30(37)35-12-9-21(10-13-35)24-17-22-6-2-3-7-25(22)33-29(24)36/h2-8,11,14-15,17-18,21,27H,9-10,12-13,16H2,1H3,(H,32,34)(H,33,36)
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n/an/a 12n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382795
PNG
(CHEMBL2024172)
Show SMILES CCc1ccnc(c1)C(CC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)Cc1cc(C)c2[nH]ncc2c1
Show InChI InChI=1S/C32H36N6O2/c1-3-22-8-11-33-29(17-22)25(15-23-14-21(2)31-26(16-23)19-34-36-31)18-30(39)37-12-9-27(10-13-37)38-20-24-6-4-5-7-28(24)35-32(38)40/h4-8,11,14,16-17,19,25,27H,3,9-10,12-13,15,18,20H2,1-2H3,(H,34,36)(H,35,40)
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n/an/a 13n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382770
PNG
(CHEMBL2024600)
Show SMILES Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cccc(n2)-c2ccccc2)cc2cn[nH]c12
Show InChI InChI=1S/C35H35N7O2/c1-23-18-24(19-27-21-36-40-33(23)27)20-32(31-13-7-12-29(37-31)25-8-3-2-4-9-25)39-34(43)41-16-14-28(15-17-41)42-22-26-10-5-6-11-30(26)38-35(42)44/h2-13,18-19,21,28,32H,14-17,20,22H2,1H3,(H,36,40)(H,38,44)(H,39,43)
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n/an/a 14n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382757
PNG
(CHEMBL2024587)
Show SMILES Cc1ccc(nc1)C(CC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)Cc1cc(C)c2[nH]ncc2c1
Show InChI InChI=1S/C31H34N6O2/c1-20-7-8-27(32-17-20)24(14-22-13-21(2)30-25(15-22)18-33-35-30)16-29(38)36-11-9-26(10-12-36)37-19-23-5-3-4-6-28(23)34-31(37)39/h3-8,13,15,17-18,24,26H,9-12,14,16,19H2,1-2H3,(H,33,35)(H,34,39)
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n/an/a 18n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382755
PNG
(CHEMBL2024171)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)c2ccccn2)cc2cn[nH]c12
Show InChI InChI=1S/C30H31FN6O2/c1-19-13-20(15-23-17-33-35-28(19)23)14-22(26-7-2-3-10-32-26)16-27(38)36-11-8-24(9-12-36)37-18-21-5-4-6-25(31)29(21)34-30(37)39/h2-7,10,13,15,17,22,24H,8-9,11-12,14,16,18H2,1H3,(H,33,35)(H,34,39)
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n/an/a 20n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382761
PNG
(CHEMBL2024591)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2ccccn2)cc2cn[nH]c12
Show InChI InChI=1S/C31H31N5O2/c1-20-14-21(16-25-19-33-35-30(20)25)15-24(27-7-4-5-11-32-27)18-29(37)36-12-9-22(10-13-36)26-17-23-6-2-3-8-28(23)34-31(26)38/h2-8,11,14,16-17,19,22,24H,9-10,12-13,15,18H2,1H3,(H,33,35)(H,34,38)
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n/an/a 24n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382773
PNG
(CHEMBL2022595)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(ccn2)C(O)=O)cc2cn[nH]c12
Show InChI InChI=1S/C30H30N6O5/c1-18-12-19(13-22-16-32-34-27(18)22)14-26(25-15-20(28(37)38)6-9-31-25)41-30(40)35-10-7-23(8-11-35)36-17-21-4-2-3-5-24(21)33-29(36)39/h2-6,9,12-13,15-16,23,26H,7-8,10-11,14,17H2,1H3,(H,32,34)(H,33,39)(H,37,38)
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n/an/a 28n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382761
PNG
(CHEMBL2024591)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2ccccn2)cc2cn[nH]c12
Show InChI InChI=1S/C31H31N5O2/c1-20-14-21(16-25-19-33-35-30(20)25)15-24(27-7-4-5-11-32-27)18-29(37)36-12-9-22(10-13-36)26-17-23-6-2-3-8-28(23)34-31(26)38/h2-8,11,14,16-17,19,22,24H,9-10,12-13,15,18H2,1H3,(H,33,35)(H,34,38)
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n/an/a 30n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382773
PNG
(CHEMBL2022595)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(ccn2)C(O)=O)cc2cn[nH]c12
Show InChI InChI=1S/C30H30N6O5/c1-18-12-19(13-22-16-32-34-27(18)22)14-26(25-15-20(28(37)38)6-9-31-25)41-30(40)35-10-7-23(8-11-35)36-17-21-4-2-3-5-24(21)33-29(36)39/h2-6,9,12-13,15-16,23,26H,7-8,10-11,14,17H2,1H3,(H,32,34)(H,33,39)(H,37,38)
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n/an/a 30n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50382755
PNG
(CHEMBL2024171)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)c2ccccn2)cc2cn[nH]c12
Show InChI InChI=1S/C30H31FN6O2/c1-19-13-20(15-23-17-33-35-28(19)23)14-22(26-7-2-3-10-32-26)16-27(38)36-11-8-24(9-12-36)37-18-21-5-4-6-25(31)29(21)34-30(37)39/h2-7,10,13,15,17,22,24H,8-9,11-12,14,16,18H2,1H3,(H,33,35)(H,34,39)
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n/an/a 35n/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

Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%