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PubMed code 19010673

Compile data set for download or QSAR
Found 62 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))		BDBM50254445
PNG
((S)-2-(2,5-dioxo-2,4,5,6-tetrahydro-1H-imidazo[1,5...)
Show SMILES O=C(Cn1c2cccc3NC(=O)Cn(c23)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C26H20N6O4/c33-20(12-31-19-5-1-4-18-22(19)32(25(31)36)13-21(34)29-18)28-16-7-6-14-10-26(11-15(14)9-16)17-3-2-8-27-23(17)30-24(26)35/h1-9H,10-13H2,(H,28,33)(H,29,34)(H,27,30,35)/t26-/m0/s1
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 0.0400n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255069
PNG
((S)-2-(5,7-dimethyl-2-oxo-3-(2-oxo-2-(2'-oxo-1,1',...)
Show SMILES CN(C)C(=O)Cn1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@@]4(Cc3c2)C(=O)Nc2ncccc42)c1=O |r|
Show InChI InChI=1S/C30H30N6O4/c1-17-10-18(2)26-23(11-17)35(29(40)36(26)16-25(38)34(3)4)15-24(37)32-21-8-7-19-13-30(14-20(19)12-21)22-6-5-9-31-27(22)33-28(30)39/h5-12H,13-16H2,1-4H3,(H,32,37)(H,31,33,39)/t30-/m0/s1
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 0.210n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254446
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc5NC(=O)Cn(c45)c3=O)cc2C1 |r|
Show InChI InChI=1S/C24H22N6O5/c1-12-5-16-20-17(6-12)29(23(35)30(20)11-19(32)26-16)10-18(31)25-15-4-3-13-8-24(9-14(13)7-15)21(33)27-22(34)28(24)2/h3-7H,8-11H2,1-2H3,(H,25,31)(H,26,32)(H,27,33,34)/t24-/m1/s1
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 0.510n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254446
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc5NC(=O)Cn(c45)c3=O)cc2C1 |r|
Show InChI InChI=1S/C24H22N6O5/c1-12-5-16-20-17(6-12)29(23(35)30(20)11-19(32)26-16)10-18(31)25-15-4-3-13-8-24(9-14(13)7-15)21(33)27-22(34)28(24)2/h3-7H,8-11H2,1-2H3,(H,25,31)(H,26,32)(H,27,33,34)/t24-/m1/s1
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 0.510n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255036
PNG
((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...)
Show SMILES O=C(Cn1c2ccccc2n(-c2ccncn2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C28H21N7O3/c36-24(15-34-21-5-1-2-6-22(21)35(27(34)38)23-9-11-29-16-31-23)32-19-8-7-17-13-28(14-18(17)12-19)20-4-3-10-30-25(20)33-26(28)37/h1-12,16H,13-15H2,(H,32,36)(H,30,33,37)/t28-/m0/s1
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 0.610n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255067
PNG
((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...)
Show SMILES O=C(Cn1c2ccccc2n(C2CCSCC2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C29H27N5O3S/c35-25(17-33-23-5-1-2-6-24(23)34(28(33)37)21-9-12-38-13-10-21)31-20-8-7-18-15-29(16-19(18)14-20)22-4-3-11-30-26(22)32-27(29)36/h1-8,11,14,21H,9-10,12-13,15-17H2,(H,31,35)(H,30,32,36)/t29-/m0/s1
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 0.870n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255037
PNG
(CHEMBL463880 | N-((S)-2'-oxo-1,1',2',3-tetrahydros...)
Show SMILES O=C(Cn1c2ccccc2n(C2CCOC2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C28H25N5O4/c34-24(15-32-22-5-1-2-6-23(22)33(27(32)36)20-9-11-37-16-20)30-19-8-7-17-13-28(14-18(17)12-19)21-4-3-10-29-25(21)31-26(28)35/h1-8,10,12,20H,9,11,13-16H2,(H,30,34)(H,29,31,35)/t20?,28-/m0/s1
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 1.20n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255068
PNG
((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...)
Show SMILES O=C(CN1C(=O)C2(CCOCC2)c2ccccc12)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C29H26N4O4/c34-24(17-33-23-6-2-1-4-21(23)28(27(33)36)9-12-37-13-10-28)31-20-8-7-18-15-29(16-19(18)14-20)22-5-3-11-30-25(22)32-26(29)35/h1-8,11,14H,9-10,12-13,15-17H2,(H,31,34)(H,30,32,35)/t29-/m0/s1
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 1.70n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50246312
PNG
((R)-2-(5,7-dimethyl-3-(2-(3-methyl-2,5-dioxo-1',3'...)
Show SMILES CN(C)C(=O)Cn1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@]4(Cc3c2)N(C)C(=O)NC4=O)c1=O |r|
Show InChI InChI=1S/C27H30N6O5/c1-15-8-16(2)23-20(9-15)32(26(38)33(23)14-22(35)30(3)4)13-21(34)28-19-7-6-17-11-27(12-18(17)10-19)24(36)29-25(37)31(27)5/h6-10H,11-14H2,1-5H3,(H,28,34)(H,29,36,37)/t27-/m1/s1
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 1.70n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255035
PNG
((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...)
Show SMILES O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C29H22N6O3/c36-25(17-34-22-7-1-2-8-23(22)35(28(34)38)24-9-3-4-12-30-24)32-20-11-10-18-15-29(16-19(18)14-20)21-6-5-13-31-26(21)33-27(29)37/h1-14H,15-17H2,(H,32,36)(H,31,33,37)/t29-/m0/s1
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 2.30n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254977
PNG
(CHEMBL473445 | N-(2'-oxo-1,1',2',3-tetrahydrospiro...)
Show SMILES O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2CC3(Cc2c1)C(=O)Nc1ncccc31
Show InChI InChI=1S/C29H22N6O3/c36-25(17-34-22-7-1-2-8-23(22)35(28(34)38)24-9-3-4-12-30-24)32-20-11-10-18-15-29(16-19(18)14-20)21-6-5-13-31-26(21)33-27(29)37/h1-14H,15-17H2,(H,32,36)(H,31,33,37)
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 3.70n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50377961
PNG
(CHEMBL1162991)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)Cn3c4cc(C)cc5N(C)C(=O)Cn(c45)c3=O)cc2C1
Show InChI InChI=1S/C25H24N6O5/c1-13-6-17-21-18(7-13)30(24(36)31(21)12-20(33)28(17)2)11-19(32)26-16-5-4-14-9-25(10-15(14)8-16)22(34)27-23(35)29(25)3/h4-8H,9-12H2,1-3H3,(H,26,32)(H,27,34,35)
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 7.10n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254979
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(C4CCSCC4)c3=O)cc2C1 |r|
Show InChI InChI=1S/C26H27N5O4S/c1-29-24(34)28-23(33)26(29)13-16-6-7-18(12-17(16)14-26)27-22(32)15-30-20-4-2-3-5-21(20)31(25(30)35)19-8-10-36-11-9-19/h2-7,12,19H,8-11,13-15H2,1H3,(H,27,32)(H,28,33,34)/t26-/m1/s1
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 13n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254978
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(-c4ccncn4)c3=O)cc2C1 |r|
Show InChI InChI=1S/C25H21N7O4/c1-30-23(35)29-22(34)25(30)11-15-6-7-17(10-16(15)12-25)28-21(33)13-31-18-4-2-3-5-19(18)32(24(31)36)20-8-9-26-14-27-20/h2-10,14H,11-13H2,1H3,(H,28,33)(H,29,34,35)/t25-/m1/s1
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 16n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50195943
PNG
(CHEMBL220101 | N-((R)-3-methyl-2,5-dioxo-1',3'-dih...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(C4CCOC4)c3=O)cc2C1 |r|
Show InChI InChI=1S/C25H25N5O5/c1-28-23(33)27-22(32)25(28)11-15-6-7-17(10-16(15)12-25)26-21(31)13-29-19-4-2-3-5-20(19)30(24(29)34)18-8-9-35-14-18/h2-7,10,18H,8-9,11-14H2,1H3,(H,26,31)(H,27,32,33)/t18?,25-/m1/s1
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 20n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50195956
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(-c4ccccn4)c3=O)cc2C1 |r|
Show InChI InChI=1S/C26H22N6O4/c1-30-24(35)29-23(34)26(30)13-16-9-10-18(12-17(16)14-26)28-22(33)15-31-19-6-2-3-7-20(19)32(25(31)36)21-8-4-5-11-27-21/h2-12H,13-15H2,1H3,(H,28,33)(H,29,34,35)/t26-/m1/s1
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 20n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50192559
PNG
((R)-4-(2-oxo-2,3-dihydroimidazo[4,5-b]pyridin-1-yl...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1ccccc1 |r,c:13|
Show InChI InChI=1S/C29H26F3N7O3/c30-29(31,32)17-38-21-10-5-4-9-20(21)23(18-7-2-1-3-8-18)34-25(26(38)40)36-27(41)37-15-12-19(13-16-37)39-22-11-6-14-33-24(22)35-28(39)42/h1-11,14,19,25H,12-13,15-17H2,(H,36,41)(H,33,35,42)/t25-/m0/s1
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 22n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254901
PNG
((R)-N-(5-oxo-2-phenyl-1,1',3',5-tetrahydrospiro[im...)
Show SMILES O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2C[C@]3(Cc2c1)N=C(NC3=O)c1ccccc1 |r,c:34|
Show InChI InChI=1S/C31H24N6O3/c38-27(19-36-24-10-4-5-11-25(24)37(30(36)40)26-12-6-7-15-32-26)33-23-14-13-21-17-31(18-22(21)16-23)29(39)34-28(35-31)20-8-2-1-3-9-20/h1-16H,17-19H2,(H,33,38)(H,34,35,39)/t31-/m1/s1
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 34n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255005
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)CN3C(=O)C4(CCOCC4)c4ccccc34)cc2C1 |r|
Show InChI InChI=1S/C26H26N4O5/c1-29-24(34)28-22(32)26(29)13-16-6-7-18(12-17(16)14-26)27-21(31)15-30-20-5-3-2-4-19(20)25(23(30)33)8-10-35-11-9-25/h2-7,12H,8-11,13-15H2,1H3,(H,27,31)(H,28,32,34)/t26-/m1/s1
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 35n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254899
PNG
(CHEMBL464263 | N-(2',5'-dioxo-1,3-dihydrospiro[ind...)
Show SMILES O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2CC3(CC(=O)NC3=O)Cc2c1
Show InChI InChI=1S/C26H21N5O4/c32-22-14-26(24(34)29-22)12-16-8-9-18(11-17(16)13-26)28-23(33)15-30-19-5-1-2-6-20(19)31(25(30)35)21-7-3-4-10-27-21/h1-11H,12-15H2,(H,28,33)(H,29,32,34)
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 96n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254937
PNG
((R)-N-(5-oxo-2-(pyridin-3-yl)-1,1',3',5-tetrahydro...)
Show SMILES O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2C[C@]3(Cc2c1)N=C(NC3=O)c1cccnc1 |r,c:34|
Show InChI InChI=1S/C30H23N7O3/c38-26(18-36-23-7-1-2-8-24(23)37(29(36)40)25-9-3-4-13-32-25)33-22-11-10-19-15-30(16-21(19)14-22)28(39)34-27(35-30)20-6-5-12-31-17-20/h1-14,17H,15-16,18H2,(H,33,38)(H,34,35,39)/t30-/m1/s1
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 130n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254857
PNG
((R)-N-(2,5-dioxo-1',3'-dihydrospiro[imidazolidine-...)
Show SMILES O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2C[C@]3(Cc2c1)NC(=O)NC3=O |r|
Show InChI InChI=1S/C25H20N6O4/c32-21(27-17-9-8-15-12-25(13-16(15)11-17)22(33)28-23(34)29-25)14-30-18-5-1-2-6-19(18)31(24(30)35)20-7-3-4-10-26-20/h1-11H,12-14H2,(H,27,32)(H2,28,29,33,34)/t25-/m1/s1
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 230n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254858
PNG
(CHEMBL465280 | N-(2'-oxo-1,3-dihydrospiro[indene-2...)
Show SMILES O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2CC3(CCNC3=O)Cc2c1
Show InChI InChI=1S/C26H23N5O3/c32-23(29-19-9-8-17-14-26(15-18(17)13-19)10-12-28-24(26)33)16-30-20-5-1-2-6-21(20)31(25(30)34)22-7-3-4-11-27-22/h1-9,11,13H,10,12,14-16H2,(H,28,33)(H,29,32)
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 270n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50192575
PNG
((R)-4-(2,4-dioxoimidazolidin-1-yl)-N-(2-oxo-5-phen...)
Show SMILES Oc1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |r,t:15|
Show InChI InChI=1S/C26H25F3N6O4/c27-26(28,29)15-35-19-9-5-4-8-18(19)21(16-6-2-1-3-7-16)31-22(23(35)37)32-24(38)33-12-10-17(11-13-33)34-14-20(36)30-25(34)39/h1-9,14,17,22,36H,10-13,15H2,(H,30,39)(H,32,38)/t22-/m0/s1
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 520n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254939
PNG
(CHEMBL515087 | N-(2'-oxo-1,3-dihydrospiro[indene-2...)
Show SMILES O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2CC3(Cc2c1)C(=O)Nc1ccccc31
Show InChI InChI=1S/C30H23N5O3/c36-27(18-34-24-9-3-4-10-25(24)35(29(34)38)26-11-5-6-14-31-26)32-21-13-12-19-16-30(17-20(19)15-21)22-7-1-2-8-23(22)33-28(30)37/h1-15H,16-18H2,(H,32,36)(H,33,37)
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 520n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50184075
PNG
((R)-4-(2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)-N-(...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C1=O)c1ccccc1 |r,c:13|
Show InChI InChI=1S/C30H27F3N6O3/c31-30(32,33)18-38-23-12-6-4-10-21(23)25(19-8-2-1-3-9-19)35-26(27(38)40)36-28(41)37-16-14-20(15-17-37)39-24-13-7-5-11-22(24)34-29(39)42/h1-13,20,26H,14-18H2,(H,34,42)(H,36,41)/t26-/m0/s1
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 2.20E+3n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254938
PNG
((R)-N-(2-cyclopropyl-5-oxo-1,1',3',5-tetrahydrospi...)
Show SMILES O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2C[C@]3(Cc2c1)N=C(NC3=O)C1CC1 |r,c:34|
Show InChI InChI=1S/C28H24N6O3/c35-24(16-33-21-5-1-2-6-22(21)34(27(33)37)23-7-3-4-12-29-23)30-20-11-10-18-14-28(15-19(18)13-20)26(36)31-25(32-28)17-8-9-17/h1-7,10-13,17H,8-9,14-16H2,(H,30,35)(H,31,32,36)/t28-/m1/s1
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 2.60E+3n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254900
PNG
(CHEMBL464264 | N-(2'-oxo-1,3-dihydrospiro[indene-2...)
Show SMILES O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2CC3(Cc2c1)CCCNC3=O
Show InChI InChI=1S/C27H25N5O3/c33-24(30-20-10-9-18-15-27(16-19(18)14-20)11-5-13-29-25(27)34)17-31-21-6-1-2-7-22(21)32(26(31)35)23-8-3-4-12-28-23/h1-4,6-10,12,14H,5,11,13,15-17H2,(H,29,34)(H,30,33)
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 2.70E+3n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254445
PNG
((S)-2-(2,5-dioxo-2,4,5,6-tetrahydro-1H-imidazo[1,5...)
Show SMILES O=C(Cn1c2cccc3NC(=O)Cn(c23)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C26H20N6O4/c33-20(12-31-19-5-1-4-18-22(19)32(25(31)36)13-21(34)29-18)28-16-7-6-14-10-26(11-15(14)9-16)17-3-2-8-27-23(17)30-24(26)35/h1-9H,10-13H2,(H,28,33)(H,29,34)(H,27,30,35)/t26-/m0/s1
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n/an/a 0.280n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254445
PNG
((S)-2-(2,5-dioxo-2,4,5,6-tetrahydro-1H-imidazo[1,5...)
Show SMILES O=C(Cn1c2cccc3NC(=O)Cn(c23)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C26H20N6O4/c33-20(12-31-19-5-1-4-18-22(19)32(25(31)36)13-21(34)29-18)28-16-7-6-14-10-26(11-15(14)9-16)17-3-2-8-27-23(17)30-24(26)35/h1-9H,10-13H2,(H,28,33)(H,29,34)(H,27,30,35)/t26-/m0/s1
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n/an/a 0.620n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255069
PNG
((S)-2-(5,7-dimethyl-2-oxo-3-(2-oxo-2-(2'-oxo-1,1',...)
Show SMILES CN(C)C(=O)Cn1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@@]4(Cc3c2)C(=O)Nc2ncccc42)c1=O |r|
Show InChI InChI=1S/C30H30N6O4/c1-17-10-18(2)26-23(11-17)35(29(40)36(26)16-25(38)34(3)4)15-24(37)32-21-8-7-19-13-30(14-20(19)12-21)22-6-5-9-31-27(22)33-28(30)39/h5-12H,13-16H2,1-4H3,(H,32,37)(H,31,33,39)/t30-/m0/s1
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n/an/a 0.870n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255036
PNG
((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...)
Show SMILES O=C(Cn1c2ccccc2n(-c2ccncn2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C28H21N7O3/c36-24(15-34-21-5-1-2-6-22(21)35(27(34)38)23-9-11-29-16-31-23)32-19-8-7-17-13-28(14-18(17)12-19)20-4-3-10-30-25(20)33-26(28)37/h1-12,16H,13-15H2,(H,32,36)(H,30,33,37)/t28-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254446
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc5NC(=O)Cn(c45)c3=O)cc2C1 |r|
Show InChI InChI=1S/C24H22N6O5/c1-12-5-16-20-17(6-12)29(23(35)30(20)11-19(32)26-16)10-18(31)25-15-4-3-13-8-24(9-14(13)7-15)21(33)27-22(34)28(24)2/h3-7H,8-11H2,1-2H3,(H,25,31)(H,26,32)(H,27,33,34)/t24-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254446
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc5NC(=O)Cn(c45)c3=O)cc2C1 |r|
Show InChI InChI=1S/C24H22N6O5/c1-12-5-16-20-17(6-12)29(23(35)30(20)11-19(32)26-16)10-18(31)25-15-4-3-13-8-24(9-14(13)7-15)21(33)27-22(34)28(24)2/h3-7H,8-11H2,1-2H3,(H,25,31)(H,26,32)(H,27,33,34)/t24-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255067
PNG
((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...)
Show SMILES O=C(Cn1c2ccccc2n(C2CCSCC2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C29H27N5O3S/c35-25(17-33-23-5-1-2-6-24(23)34(28(33)37)21-9-12-38-13-10-21)31-20-8-7-18-15-29(16-19(18)14-20)22-4-3-11-30-26(22)32-27(29)36/h1-8,11,14,21H,9-10,12-13,15-17H2,(H,31,35)(H,30,32,36)/t29-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255069
PNG
((S)-2-(5,7-dimethyl-2-oxo-3-(2-oxo-2-(2'-oxo-1,1',...)
Show SMILES CN(C)C(=O)Cn1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@@]4(Cc3c2)C(=O)Nc2ncccc42)c1=O |r|
Show InChI InChI=1S/C30H30N6O4/c1-17-10-18(2)26-23(11-17)35(29(40)36(26)16-25(38)34(3)4)15-24(37)32-21-8-7-19-13-30(14-20(19)12-21)22-6-5-9-31-27(22)33-28(30)39/h5-12H,13-16H2,1-4H3,(H,32,37)(H,31,33,39)/t30-/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255037
PNG
(CHEMBL463880 | N-((S)-2'-oxo-1,1',2',3-tetrahydros...)
Show SMILES O=C(Cn1c2ccccc2n(C2CCOC2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C28H25N5O4/c34-24(15-32-22-5-1-2-6-23(22)33(27(32)36)20-9-11-37-16-20)30-19-8-7-17-13-28(14-18(17)12-19)21-4-3-10-29-25(21)31-26(28)35/h1-8,10,12,20H,9,11,13-16H2,(H,30,34)(H,29,31,35)/t20?,28-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254446
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc5NC(=O)Cn(c45)c3=O)cc2C1 |r|
Show InChI InChI=1S/C24H22N6O5/c1-12-5-16-20-17(6-12)29(23(35)30(20)11-19(32)26-16)10-18(31)25-15-4-3-13-8-24(9-14(13)7-15)21(33)27-22(34)28(24)2/h3-7H,8-11H2,1-2H3,(H,25,31)(H,26,32)(H,27,33,34)/t24-/m1/s1
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n/an/a 5.40n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254446
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc5NC(=O)Cn(c45)c3=O)cc2C1 |r|
Show InChI InChI=1S/C24H22N6O5/c1-12-5-16-20-17(6-12)29(23(35)30(20)11-19(32)26-16)10-18(31)25-15-4-3-13-8-24(9-14(13)7-15)21(33)27-22(34)28(24)2/h3-7H,8-11H2,1-2H3,(H,25,31)(H,26,32)(H,27,33,34)/t24-/m1/s1
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n/an/a 5.40n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255068
PNG
((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...)
Show SMILES O=C(CN1C(=O)C2(CCOCC2)c2ccccc12)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C29H26N4O4/c34-24(17-33-23-6-2-1-4-21(23)28(27(33)36)9-12-37-13-10-28)31-20-8-7-18-15-29(16-19(18)14-20)22-5-3-11-30-25(22)32-26(29)35/h1-8,11,14H,9-10,12-13,15-17H2,(H,31,34)(H,30,32,35)/t29-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255035
PNG
((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...)
Show SMILES O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C29H22N6O3/c36-25(17-34-22-7-1-2-8-23(22)35(28(34)38)24-9-3-4-12-30-24)32-20-11-10-18-15-29(16-19(18)14-20)21-6-5-13-31-26(21)33-27(29)37/h1-14H,15-17H2,(H,32,36)(H,31,33,37)/t29-/m0/s1
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n/an/a 8.60n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254978
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(-c4ccncn4)c3=O)cc2C1 |r|
Show InChI InChI=1S/C25H21N7O4/c1-30-23(35)29-22(34)25(30)11-15-6-7-17(10-16(15)12-25)28-21(33)13-31-18-4-2-3-5-19(18)32(24(31)36)20-8-9-26-14-27-20/h2-10,14H,11-13H2,1H3,(H,28,33)(H,29,34,35)/t25-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50246312
PNG
((R)-2-(5,7-dimethyl-3-(2-(3-methyl-2,5-dioxo-1',3'...)
Show SMILES CN(C)C(=O)Cn1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@]4(Cc3c2)N(C)C(=O)NC4=O)c1=O |r|
Show InChI InChI=1S/C27H30N6O5/c1-15-8-16(2)23-20(9-15)32(26(38)33(23)14-22(35)30(3)4)13-21(34)28-19-7-6-17-11-27(12-18(17)10-19)24(36)29-25(37)31(27)5/h6-10H,11-14H2,1-5H3,(H,28,34)(H,29,36,37)/t27-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50246312
PNG
((R)-2-(5,7-dimethyl-3-(2-(3-methyl-2,5-dioxo-1',3'...)
Show SMILES CN(C)C(=O)Cn1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@]4(Cc3c2)N(C)C(=O)NC4=O)c1=O |r|
Show InChI InChI=1S/C27H30N6O5/c1-15-8-16(2)23-20(9-15)32(26(38)33(23)14-22(35)30(3)4)13-21(34)28-19-7-6-17-11-27(12-18(17)10-19)24(36)29-25(37)31(27)5/h6-10H,11-14H2,1-5H3,(H,28,34)(H,29,36,37)/t27-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255067
PNG
((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...)
Show SMILES O=C(Cn1c2ccccc2n(C2CCSCC2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C29H27N5O3S/c35-25(17-33-23-5-1-2-6-24(23)34(28(33)37)21-9-12-38-13-10-21)31-20-8-7-18-15-29(16-19(18)14-20)22-4-3-11-30-26(22)32-27(29)36/h1-8,11,14,21H,9-10,12-13,15-17H2,(H,31,35)(H,30,32,36)/t29-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255037
PNG
(CHEMBL463880 | N-((S)-2'-oxo-1,1',2',3-tetrahydros...)
Show SMILES O=C(Cn1c2ccccc2n(C2CCOC2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C28H25N5O4/c34-24(15-32-22-5-1-2-6-23(22)33(27(32)36)20-9-11-37-16-20)30-19-8-7-17-13-28(14-18(17)12-19)21-4-3-10-29-25(21)31-26(28)35/h1-8,10,12,20H,9,11,13-16H2,(H,30,34)(H,29,31,35)/t20?,28-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254979
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(C4CCSCC4)c3=O)cc2C1 |r|
Show InChI InChI=1S/C26H27N5O4S/c1-29-24(34)28-23(33)26(29)13-16-6-7-18(12-17(16)14-26)27-22(32)15-30-20-4-2-3-5-21(20)31(25(30)35)19-8-10-36-11-9-19/h2-7,12,19H,8-11,13-15H2,1H3,(H,27,32)(H,28,33,34)/t26-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50377961
PNG
(CHEMBL1162991)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)Cn3c4cc(C)cc5N(C)C(=O)Cn(c45)c3=O)cc2C1
Show InChI InChI=1S/C25H24N6O5/c1-13-6-17-21-18(7-13)30(24(36)31(21)12-20(33)28(17)2)11-19(32)26-16-5-4-14-9-25(10-15(14)8-16)22(34)27-23(35)29(25)3/h4-8H,9-12H2,1-3H3,(H,26,32)(H,27,34,35)
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n/an/a 31n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255036
PNG
((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...)
Show SMILES O=C(Cn1c2ccccc2n(-c2ccncn2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C28H21N7O3/c36-24(15-34-21-5-1-2-6-22(21)35(27(34)38)23-9-11-29-16-31-23)32-19-8-7-17-13-28(14-18(17)12-19)20-4-3-10-30-25(20)33-26(28)37/h1-12,16H,13-15H2,(H,32,36)(H,30,33,37)/t28-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255068
PNG
((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...)
Show SMILES O=C(CN1C(=O)C2(CCOCC2)c2ccccc12)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C29H26N4O4/c34-24(17-33-23-6-2-1-4-21(23)28(27(33)36)9-12-37-13-10-28)31-20-8-7-18-15-29(16-19(18)14-20)22-5-3-11-30-25(22)32-26(29)35/h1-8,11,14H,9-10,12-13,15-17H2,(H,31,34)(H,30,32,35)/t29-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50192559
PNG
((R)-4-(2-oxo-2,3-dihydroimidazo[4,5-b]pyridin-1-yl...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1ccccc1 |r,c:13|
Show InChI InChI=1S/C29H26F3N7O3/c30-29(31,32)17-38-21-10-5-4-9-20(21)23(18-7-2-1-3-8-18)34-25(26(38)40)36-27(41)37-15-12-19(13-16-37)39-22-11-6-14-33-24(22)35-28(39)42/h1-11,14,19,25H,12-13,15-17H2,(H,36,41)(H,33,35,42)/t25-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255005
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)CN3C(=O)C4(CCOCC4)c4ccccc34)cc2C1 |r|
Show InChI InChI=1S/C26H26N4O5/c1-29-24(34)28-22(32)26(29)13-16-6-7-18(12-17(16)14-26)27-21(31)15-30-20-5-3-2-4-19(20)25(23(30)33)8-10-35-11-9-25/h2-7,12H,8-11,13-15H2,1H3,(H,27,31)(H,28,32,34)/t26-/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50195943
PNG
(CHEMBL220101 | N-((R)-3-methyl-2,5-dioxo-1',3'-dih...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(C4CCOC4)c3=O)cc2C1 |r|
Show InChI InChI=1S/C25H25N5O5/c1-28-23(33)27-22(32)25(28)11-15-6-7-17(10-16(15)12-25)26-21(31)13-29-19-4-2-3-5-20(19)30(24(29)34)18-8-9-35-14-18/h2-7,10,18H,8-9,11-14H2,1H3,(H,26,31)(H,27,32,33)/t18?,25-/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254978
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(-c4ccncn4)c3=O)cc2C1 |r|
Show InChI InChI=1S/C25H21N7O4/c1-30-23(35)29-22(34)25(30)11-15-6-7-17(10-16(15)12-25)28-21(33)13-31-18-4-2-3-5-19(18)32(24(31)36)20-8-9-26-14-27-20/h2-10,14H,11-13H2,1H3,(H,28,33)(H,29,34,35)/t25-/m1/s1
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n/an/a 74n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50195956
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(-c4ccccn4)c3=O)cc2C1 |r|
Show InChI InChI=1S/C26H22N6O4/c1-30-24(35)29-23(34)26(30)13-16-9-10-18(12-17(16)14-26)28-22(33)15-31-19-6-2-3-7-20(19)32(25(31)36)21-8-4-5-11-27-21/h2-12H,13-15H2,1H3,(H,28,33)(H,29,34,35)/t26-/m1/s1
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n/an/a 78n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255005
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)CN3C(=O)C4(CCOCC4)c4ccccc34)cc2C1 |r|
Show InChI InChI=1S/C26H26N4O5/c1-29-24(34)28-22(32)26(29)13-16-6-7-18(12-17(16)14-26)27-21(31)15-30-20-5-3-2-4-19(20)25(23(30)33)8-10-35-11-9-25/h2-7,12H,8-11,13-15H2,1H3,(H,27,31)(H,28,32,34)/t26-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50195943
PNG
(CHEMBL220101 | N-((R)-3-methyl-2,5-dioxo-1',3'-dih...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(C4CCOC4)c3=O)cc2C1 |r|
Show InChI InChI=1S/C25H25N5O5/c1-28-23(33)27-22(32)25(28)11-15-6-7-17(10-16(15)12-25)26-21(31)13-29-19-4-2-3-5-20(19)30(24(29)34)18-8-9-35-14-18/h2-7,10,18H,8-9,11-14H2,1H3,(H,26,31)(H,27,32,33)/t18?,25-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50254979
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(C4CCSCC4)c3=O)cc2C1 |r|
Show InChI InChI=1S/C26H27N5O4S/c1-29-24(34)28-23(33)26(29)13-16-6-7-18(12-17(16)14-26)27-22(32)15-30-20-4-2-3-5-21(20)31(25(30)35)19-8-10-36-11-9-19/h2-7,12,19H,8-11,13-15H2,1H3,(H,27,32)(H,28,33,34)/t26-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50377961
PNG
(CHEMBL1162991)
Show SMILES CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)Cn3c4cc(C)cc5N(C)C(=O)Cn(c45)c3=O)cc2C1
Show InChI InChI=1S/C25H24N6O5/c1-13-6-17-21-18(7-13)30(24(36)31(21)12-20(33)28(17)2)11-19(32)26-16-5-4-14-9-25(10-15(14)8-16)22(34)27-23(35)29(25)3/h4-8H,9-12H2,1-3H3,(H,26,32)(H,27,34,35)
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n/an/a 220n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50255035
PNG
((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...)
Show SMILES O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C29H22N6O3/c36-25(17-34-22-7-1-2-8-23(22)35(28(34)38)24-9-3-4-12-30-24)32-20-11-10-18-15-29(16-19(18)14-20)21-6-5-13-31-26(21)33-27(29)37/h1-14H,15-17H2,(H,32,36)(H,31,33,37)/t29-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50195956
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(-c4ccccn4)c3=O)cc2C1 |r|
Show InChI InChI=1S/C26H22N6O4/c1-30-24(35)29-23(34)26(30)13-16-9-10-18(12-17(16)14-26)28-22(33)15-31-19-6-2-3-7-20(19)32(25(31)36)21-8-4-5-11-27-21/h2-12H,13-15H2,1H3,(H,28,33)(H,29,34,35)/t26-/m1/s1
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n/an/a 530n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50192559
PNG
((R)-4-(2-oxo-2,3-dihydroimidazo[4,5-b]pyridin-1-yl...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1ccccc1 |r,c:13|
Show InChI InChI=1S/C29H26F3N7O3/c30-29(31,32)17-38-21-10-5-4-9-20(21)23(18-7-2-1-3-8-18)34-25(26(38)40)36-27(41)37-15-12-19(13-16-37)39-22-11-6-14-33-24(22)35-28(39)42/h1-11,14,19,25H,12-13,15-17H2,(H,36,41)(H,33,35,42)/t25-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...

Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%