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Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'corcoran' and Initial = 'ha'   
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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0.0390n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50296785
PNG
((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...)
Show SMILES O=C(Cn1cc2CC(=O)Nc3cccc1c23)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C27H21N5O3/c33-22-10-17-13-32(21-5-1-4-20(30-22)24(17)21)14-23(34)29-18-7-6-15-11-27(12-16(15)9-18)19-3-2-8-28-25(19)31-26(27)35/h1-9,13H,10-12,14H2,(H,29,34)(H,30,33)(H,28,31,35)/t27-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50296784
PNG
((S)-2-(6-methyl-2,5-dioxo-2,4,5,6-tetrahydro-1H-im...)
Show SMILES CN1C(=O)Cn2c3c1cccc3n(CC(=O)Nc1ccc3C[C@@]4(Cc3c1)C(=O)Nc1ncccc41)c2=O |r|
Show InChI InChI=1S/C27H22N6O4/c1-31-19-5-2-6-20-23(19)33(14-22(31)35)26(37)32(20)13-21(34)29-17-8-7-15-11-27(12-16(15)10-17)18-4-3-9-28-24(18)30-25(27)36/h2-10H,11-14H2,1H3,(H,29,34)(H,28,30,36)/t27-/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50296789
PNG
(2-(2a-methyl-4-oxo-2a,3,4,5-tetrahydropyrrolo[4,3,...)
Show SMILES CC12CN(CC(=O)Nc3ccc4C[C@@]5(Cc4c3)C(=O)Nc3ncccc53)c3cccc(NC(=O)C1)c23 |r|
Show InChI InChI=1S/C28H25N5O3/c1-27-13-22(34)31-20-5-2-6-21(24(20)27)33(15-27)14-23(35)30-18-8-7-16-11-28(12-17(16)10-18)19-4-3-9-29-25(19)32-26(28)36/h2-10H,11-15H2,1H3,(H,30,35)(H,31,34)(H,29,32,36)/t27?,28-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50296787
PNG
(CHEMBL564088 | N-((S)-2'-oxo-1,1',2',3-tetrahydros...)
Show SMILES O=C(CN1CC2CC(=O)Nc3cccc1c23)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C27H23N5O3/c33-22-10-17-13-32(21-5-1-4-20(30-22)24(17)21)14-23(34)29-18-7-6-15-11-27(12-16(15)9-18)19-3-2-8-28-25(19)31-26(27)35/h1-9,17H,10-14H2,(H,29,34)(H,30,33)(H,28,31,35)/t17?,27-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246422
PNG
((R)-2-(2,5-dioxo-2,4,5,6-tetrahydro-1H-imidazo[1,5...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cccc5NC(=O)Cn(c45)c3=O)cc2C1 |r|
Show InChI InChI=1S/C23H20N6O5/c1-27-21(33)26-20(32)23(27)8-12-5-6-14(7-13(12)9-23)24-17(30)10-28-16-4-2-3-15-19(16)29(22(28)34)11-18(31)25-15/h2-7H,8-11H2,1H3,(H,24,30)(H,25,31)(H,26,32,33)/t23-/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 cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50224431
PNG
(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F
Show InChI InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50296790
PNG
(CHEMBL549503 | N-((S)-2'-oxo-1,1',2',3-tetrahydros...)
Show SMILES O=C(CN1CC2CCC(=O)Nc3cccc1c23)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C28H25N5O3/c34-23-9-7-17-14-33(22-5-1-4-21(31-23)25(17)22)15-24(35)30-19-8-6-16-12-28(13-18(16)11-19)20-3-2-10-29-26(20)32-27(28)36/h1-6,8,10-11,17H,7,9,12-15H2,(H,30,35)(H,31,34)(H,29,32,36)/t17?,28-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50296787
PNG
(CHEMBL564088 | N-((S)-2'-oxo-1,1',2',3-tetrahydros...)
Show SMILES O=C(CN1CC2CC(=O)Nc3cccc1c23)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C27H23N5O3/c33-22-10-17-13-32(21-5-1-4-20(30-22)24(17)21)14-23(34)29-18-7-6-15-11-27(12-16(15)9-18)19-3-2-8-28-25(19)31-26(27)35/h1-9,17H,10-14H2,(H,29,34)(H,30,33)(H,28,31,35)/t17?,27-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50296786
PNG
((S)-2-(1-methyl-2-oxo-2,3-dihydropyrrolo[4,3,2-de]...)
Show SMILES CN1C(=O)Cc2cn(CC(=O)Nc3ccc4C[C@@]5(Cc4c3)C(=O)Nc3ncccc53)c3cccc1c23 |r|
Show InChI InChI=1S/C28H23N5O3/c1-32-21-5-2-6-22-25(21)18(11-24(32)35)14-33(22)15-23(34)30-19-8-7-16-12-28(13-17(16)10-19)20-4-3-9-29-26(20)31-27(28)36/h2-10,14H,11-13,15H2,1H3,(H,30,34)(H,29,31,36)/t28-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
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 cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246273
PNG
((R)-2-(3-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxo-2...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc(C)c4n(CC(N)=O)c3=O)cc2C1 |r|
Show InChI InChI=1S/C25H26N6O5/c1-13-6-14(2)21-18(7-13)30(24(36)31(21)11-19(26)32)12-20(33)27-17-5-4-15-9-25(10-16(15)8-17)22(34)28-23(35)29(25)3/h4-8H,9-12H2,1-3H3,(H2,26,32)(H,27,33)(H,28,34,35)/t25-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246271
PNG
((R)-methyl 2-(5,7-dimethyl-3-(2-(3-methyl-2,5-diox...)
Show SMILES COC(=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/C26H27N5O6/c1-14-7-15(2)22-19(8-14)30(25(36)31(22)13-21(33)37-4)12-20(32)27-18-6-5-16-10-26(11-17(16)9-18)23(34)28-24(35)29(26)3/h5-9H,10-13H2,1-4H3,(H,27,32)(H,28,34,35)/t26-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50296791
PNG
(CHEMBL564466 | N-((S)-2'-oxo-1,1',2',3-tetrahydros...)
Show SMILES O=C(CN1CC2CCCC(=O)Nc3cccc1c23)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C29H27N5O3/c35-24-8-1-4-18-15-34(23-7-2-6-22(32-24)26(18)23)16-25(36)31-20-10-9-17-13-29(14-19(17)12-20)21-5-3-11-30-27(21)33-28(29)37/h2-3,5-7,9-12,18H,1,4,8,13-16H2,(H,31,36)(H,32,35)(H,30,33,37)/t18?,29-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246474
PNG
(2-{9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1....)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cccc5N(C)C(=O)CCCn(c45)c3=O)cc2C1 |r|
Show InChI InChI=1S/C26H26N6O5/c1-29-18-5-3-6-19-22(18)31(10-4-7-21(29)34)25(37)32(19)14-20(33)27-17-9-8-15-12-26(13-16(15)11-17)23(35)28-24(36)30(26)2/h3,5-6,8-9,11H,4,7,10,12-14H2,1-2H3,(H,27,33)(H,28,35,36)/t26-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246228
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc(C)c4n(C)c3=O)cc2C1 |r|
Show InChI InChI=1S/C24H25N5O4/c1-13-7-14(2)20-18(8-13)29(23(33)27(20)3)12-19(30)25-17-6-5-15-10-24(11-16(15)9-17)21(31)26-22(32)28(24)4/h5-9H,10-12H2,1-4H3,(H,25,30)(H,26,31,32)/t24-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246314
PNG
((R)-2-(4,6-dimethyl-2-oxo-3-(pyridin-2-yl)-2,3-dih...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc(C)c4n(-c4ccccn4)c3=O)cc2C1 |r|
Show InChI InChI=1S/C28H26N6O4/c1-16-10-17(2)24-21(11-16)33(27(38)34(24)22-6-4-5-9-29-22)15-23(35)30-20-8-7-18-13-28(14-19(18)12-20)25(36)31-26(37)32(28)3/h4-12H,13-15H2,1-3H3,(H,30,35)(H,31,36,37)/t28-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246424
PNG
(2-{2,10-dioxo-1,3,9-triazatricyclo[6.5.1.0^{4,14}]...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cccc5NC(=O)CCCn(c45)c3=O)cc2C1 |r|
Show InChI InChI=1S/C25H24N6O5/c1-29-23(35)28-22(34)25(29)11-14-7-8-16(10-15(14)12-25)26-20(33)13-31-18-5-2-4-17-21(18)30(24(31)36)9-3-6-19(32)27-17/h2,4-5,7-8,10H,3,6,9,11-13H2,1H3,(H,26,33)(H,27,32)(H,28,34,35)/t25-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246084
PNG
((R)-2-(4,6-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]i...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc(C)c4[nH]c3=O)cc2C1 |r|
Show InChI InChI=1S/C23H23N5O4/c1-12-6-13(2)19-17(7-12)28(22(32)25-19)11-18(29)24-16-5-4-14-9-23(10-15(14)8-16)20(30)26-21(31)27(23)3/h4-8H,9-11H2,1-3H3,(H,24,29)(H,25,32)(H,26,30,31)/t23-/m1/s1
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5.5n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246423
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cccc5N(C)C(=O)Cn(c45)c3=O)cc2C1 |r|
Show InChI InChI=1S/C24H22N6O5/c1-27-16-4-3-5-17-20(16)30(12-19(27)32)23(35)29(17)11-18(31)25-15-7-6-13-9-24(10-14(13)8-15)21(33)26-22(34)28(24)2/h3-8H,9-12H2,1-2H3,(H,25,31)(H,26,33,34)/t24-/m1/s1
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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 cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246178
PNG
((R)-2-(6-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(Cl)ccc4[nH]c3=O)cc2C1 |r|
Show InChI InChI=1S/C21H18ClN5O4/c1-26-19(30)25-18(29)21(26)8-11-2-4-14(6-12(11)9-21)23-17(28)10-27-16-7-13(22)3-5-15(16)24-20(27)31/h2-7H,8-10H2,1H3,(H,23,28)(H,24,31)(H,25,29,30)/t21-/m1/s1
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9.5n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246421
PNG
((R)-N,N-dimethyl-4-(3-(2-(3-methyl-2,5-dioxo-1',3'...)
Show SMILES CN(C)C(=O)CCCn1c2ccccc2n(CC(=O)Nc2ccc3C[C@]4(Cc3c2)N(C)C(=O)NC4=O)c1=O |r|
Show InChI InChI=1S/C27H30N6O5/c1-30(2)23(35)9-6-12-32-20-7-4-5-8-21(20)33(26(32)38)16-22(34)28-19-11-10-17-14-27(15-18(17)13-19)24(36)29-25(37)31(27)3/h4-5,7-8,10-11,13H,6,9,12,14-16H2,1-3H3,(H,28,34)(H,29,36,37)/t27-/m1/s1
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9.60n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50296788
PNG
(2-((S)-5-methyl-4-oxo-2a,3,4,5-tetrahydropyrrolo[4...)
Show SMILES CN1C(=O)C[C@@H]2CN(CC(=O)Nc3ccc4C[C@@]5(Cc4c3)C(=O)Nc3ncccc53)c3cccc1c23 |r|
Show InChI InChI=1S/C28H25N5O3/c1-32-21-5-2-6-22-25(21)18(11-24(32)35)14-33(22)15-23(34)30-19-8-7-16-12-28(13-17(16)10-19)20-4-3-9-29-26(20)31-27(28)36/h2-10,18H,11-15H2,1H3,(H,30,34)(H,29,31,36)/t18-,28+/m1/s1
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9.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246086
PNG
((R)-2-(4-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cccc(Cl)c4[nH]c3=O)cc2C1 |r|
Show InChI InChI=1S/C21H18ClN5O4/c1-26-19(30)25-18(29)21(26)8-11-5-6-13(7-12(11)9-21)23-16(28)10-27-15-4-2-3-14(22)17(15)24-20(27)31/h2-7H,8-10H2,1H3,(H,23,28)(H,24,31)(H,25,29,30)/t21-/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 cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246368
PNG
((R)-4-(3-(2-(3-methyl-2,5-dioxo-1',3'-dihydrospiro...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(CCCC(N)=O)c3=O)cc2C1 |r|
Show InChI InChI=1S/C25H26N6O5/c1-29-23(35)28-22(34)25(29)12-15-8-9-17(11-16(15)13-25)27-21(33)14-31-19-6-3-2-5-18(19)30(24(31)36)10-4-7-20(26)32/h2-3,5-6,8-9,11H,4,7,10,12-14H2,1H3,(H2,26,32)(H,27,33)(H,28,34,35)/t25-/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 cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246130
PNG
((R)-2-(5-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccc(Cl)cc4[nH]c3=O)cc2C1 |r|
Show InChI InChI=1S/C21H18ClN5O4/c1-26-19(30)25-18(29)21(26)8-11-2-4-14(6-12(11)9-21)23-17(28)10-27-16-5-3-13(22)7-15(16)24-20(27)31/h2-7H,8-10H2,1H3,(H,23,28)(H,24,31)(H,25,29,30)/t21-/m1/s1
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15n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246225
PNG
((R)-2-(6-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(F)ccc4[nH]c3=O)cc2C1 |r|
Show InChI InChI=1S/C21H18FN5O4/c1-26-19(30)25-18(29)21(26)8-11-2-4-14(6-12(11)9-21)23-17(28)10-27-16-7-13(22)3-5-15(16)24-20(27)31/h2-7H,8-10H2,1H3,(H,23,28)(H,24,31)(H,25,29,30)/t21-/m1/s1
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15n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246175
PNG
((R)-2-(5-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccc(F)cc4[nH]c3=O)cc2C1 |r|
Show InChI InChI=1S/C21H18FN5O4/c1-26-19(30)25-18(29)21(26)8-11-2-4-14(6-12(11)9-21)23-17(28)10-27-16-5-3-13(22)7-15(16)24-20(27)31/h2-7H,8-10H2,1H3,(H,23,28)(H,24,31)(H,25,29,30)/t21-/m1/s1
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18n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
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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21n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246272
PNG
((S)-methyl 2-(5,7-dimethyl-3-(2-((R)-3-methyl-2,5-...)
Show SMILES COC(=O)[C@H](C)n1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@]4(Cc3c2)N(C)C(=O)NC4=O)c1=O |r|
Show InChI InChI=1S/C27H29N5O6/c1-14-8-15(2)22-20(9-14)31(26(37)32(22)16(3)23(34)38-5)13-21(33)28-19-7-6-17-11-27(12-18(17)10-19)24(35)29-25(36)30(27)4/h6-10,16H,11-13H2,1-5H3,(H,28,33)(H,29,35,36)/t16-,27+/m0/s1
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21n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246365
PNG
((R)-N,N-dimethyl-2-(3-(2-(3-methyl-2,5-dioxo-1',3'...)
Show SMILES CN(C)C(=O)Cn1c2ccccc2n(CC(=O)Nc2ccc3C[C@]4(Cc3c2)N(C)C(=O)NC4=O)c1=O |r|
Show InChI InChI=1S/C25H26N6O5/c1-28(2)21(33)14-31-19-7-5-4-6-18(19)30(24(31)36)13-20(32)26-17-9-8-15-11-25(12-16(15)10-17)22(34)27-23(35)29(25)3/h4-10H,11-14H2,1-3H3,(H,26,32)(H,27,34,35)/t25-/m1/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 cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246177
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)ccc4[nH]c3=O)cc2C1 |r|
Show InChI InChI=1S/C22H21N5O4/c1-12-3-6-16-17(7-12)27(21(31)24-16)11-18(28)23-15-5-4-13-9-22(10-14(13)8-15)19(29)25-20(30)26(22)2/h3-8H,9-11H2,1-2H3,(H,23,28)(H,24,31)(H,25,29,30)/t22-/m1/s1
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23n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246128
PNG
((R)-2-(4-methoxy-2-oxo-2,3-dihydro-1H-benzo[d]imid...)
Show SMILES COc1cccc2n(CC(=O)Nc3ccc4C[C@]5(Cc4c3)N(C)C(=O)NC5=O)c(=O)[nH]c12 |r|
Show InChI InChI=1S/C22H21N5O5/c1-26-20(30)25-19(29)22(26)9-12-6-7-14(8-13(12)10-22)23-17(28)11-27-15-4-3-5-16(32-2)18(15)24-21(27)31/h3-8H,9-11H2,1-2H3,(H,23,28)(H,24,31)(H,25,29,30)/t22-/m1/s1
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26n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246313
PNG
((R)-2-(5,7-dimethyl-3-(2-(3-methyl-2,5-dioxo-1',3'...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc(C)c4n(CC(O)=O)c3=O)cc2C1 |r|
Show InChI InChI=1S/C25H25N5O6/c1-13-6-14(2)21-18(7-13)29(24(36)30(21)12-20(32)33)11-19(31)26-17-5-4-15-9-25(10-16(15)8-17)22(34)27-23(35)28(25)3/h4-8H,9-12H2,1-3H3,(H,26,31)(H,32,33)(H,27,34,35)/t25-/m1/s1
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26n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246366
PNG
((R)-3-(3-(2-(3-methyl-2,5-dioxo-1',3'-dihydrospiro...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(CCC(N)=O)c3=O)cc2C1 |r|
Show InChI InChI=1S/C24H24N6O5/c1-28-22(34)27-21(33)24(28)11-14-6-7-16(10-15(14)12-24)26-20(32)13-30-18-5-3-2-4-17(18)29(23(30)35)9-8-19(25)31/h2-7,10H,8-9,11-13H2,1H3,(H2,25,31)(H,26,32)(H,27,33,34)/t24-/m1/s1
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31n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246127
PNG
((R)-2-(4-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cccc(F)c4[nH]c3=O)cc2C1 |r|
Show InChI InChI=1S/C21H18FN5O4/c1-26-19(30)25-18(29)21(26)8-11-5-6-13(7-12(11)9-21)23-16(28)10-27-15-4-2-3-14(22)17(15)24-20(27)31/h2-7H,8-10H2,1H3,(H,23,28)(H,24,31)(H,25,29,30)/t21-/m1/s1
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32n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246367
PNG
((R)-N,N-dimethyl-3-(3-(2-(3-methyl-2,5-dioxo-1',3'...)
Show SMILES CN(C)C(=O)CCn1c2ccccc2n(CC(=O)Nc2ccc3C[C@]4(Cc3c2)N(C)C(=O)NC4=O)c1=O |r|
Show InChI InChI=1S/C26H28N6O5/c1-29(2)22(34)10-11-31-19-6-4-5-7-20(19)32(25(31)37)15-21(33)27-18-9-8-16-13-26(14-17(16)12-18)23(35)28-24(36)30(26)3/h4-9,12H,10-11,13-15H2,1-3H3,(H,27,33)(H,28,35,36)/t26-/m1/s1
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36n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246315
PNG
((R)-2-(3-(2-amino-2-oxoethyl)-2-oxo-2,3-dihydro-1H...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(CC(N)=O)c3=O)cc2C1 |r|
Show InChI InChI=1S/C23H22N6O5/c1-27-21(33)26-20(32)23(27)9-13-6-7-15(8-14(13)10-23)25-19(31)12-29-17-5-3-2-4-16(17)28(22(29)34)11-18(24)30/h2-8H,9-12H2,1H3,(H2,24,30)(H,25,31)(H,26,32,33)/t23-/m1/s1
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37n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50195960
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4[nH]c3=O)cc2C1 |r|
Show InChI InChI=1S/C21H19N5O4/c1-25-19(29)24-18(28)21(25)9-12-6-7-14(8-13(12)10-21)22-17(27)11-26-16-5-3-2-4-15(16)23-20(26)30/h2-8H,9-11H2,1H3,(H,22,27)(H,23,30)(H,24,28,29)/t21-/m1/s1
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38n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246085
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cccc(C)c4[nH]c3=O)cc2C1 |r|
Show InChI InChI=1S/C22H21N5O4/c1-12-4-3-5-16-18(12)24-21(31)27(16)11-17(28)23-15-7-6-13-9-22(10-14(13)8-15)19(29)25-20(30)26(22)2/h3-8H,9-11H2,1-2H3,(H,23,28)(H,24,31)(H,25,29,30)/t22-/m1/s1
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41n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246176
PNG
((R)-2-(5-methoxy-2-oxo-2,3-dihydro-1H-benzo[d]imid...)
Show SMILES COc1ccc2n(CC(=O)Nc3ccc4C[C@]5(Cc4c3)N(C)C(=O)NC5=O)c(=O)[nH]c2c1 |r|
Show InChI InChI=1S/C22H21N5O5/c1-26-20(30)25-19(29)22(26)9-12-3-4-14(7-13(12)10-22)23-18(28)11-27-17-6-5-15(32-2)8-16(17)24-21(27)31/h3-8H,9-11H2,1-2H3,(H,23,28)(H,24,31)(H,25,29,30)/t22-/m1/s1
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62n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246129
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccc(C)cc4[nH]c3=O)cc2C1 |r|
Show InChI InChI=1S/C22H21N5O4/c1-12-3-6-17-16(7-12)24-21(31)27(17)11-18(28)23-15-5-4-13-9-22(10-14(13)8-15)19(29)25-20(30)26(22)2/h3-8H,9-11H2,1-2H3,(H,23,28)(H,24,31)(H,25,29,30)/t22-/m1/s1
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100n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246226
PNG
((R)-2-(6-methoxy-2-oxo-2,3-dihydro-1H-benzo[d]imid...)
Show SMILES COc1ccc2[nH]c(=O)n(CC(=O)Nc3ccc4C[C@]5(Cc4c3)N(C)C(=O)NC5=O)c2c1 |r|
Show InChI InChI=1S/C22H21N5O5/c1-26-20(30)25-19(29)22(26)9-12-3-4-14(7-13(12)10-22)23-18(28)11-27-17-8-15(32-2)5-6-16(17)24-21(27)31/h3-8H,9-11H2,1-2H3,(H,23,28)(H,24,31)(H,25,29,30)/t22-/m1/s1
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120n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246227
PNG
((R)-2-(7-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4c(Cl)cccc4[nH]c3=O)cc2C1 |r|
Show InChI InChI=1S/C21H18ClN5O4/c1-26-19(30)25-18(29)21(26)8-11-5-6-13(7-12(11)9-21)23-16(28)10-27-17-14(22)3-2-4-15(17)24-20(27)31/h2-7H,8-10H2,1H3,(H,23,28)(H,24,31)(H,25,29,30)/t21-/m1/s1
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250n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells


Bioorg Med Chem Lett 18: 6122-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.019
BindingDB Entry DOI: 10.7270/Q24Q7TTF
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 Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50296785
PNG
((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...)
Show SMILES O=C(Cn1cc2CC(=O)Nc3cccc1c23)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C27H21N5O3/c33-22-10-17-13-32(21-5-1-4-20(30-22)24(17)21)14-23(34)29-18-7-6-15-11-27(12-16(15)9-18)19-3-2-8-28-25(19)31-26(27)35/h1-9,13H,10-12,14H2,(H,29,34)(H,30,33)(H,28,31,35)/t27-/m0/s1
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n/an/a 0.610n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
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 Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50296784
PNG
((S)-2-(6-methyl-2,5-dioxo-2,4,5,6-tetrahydro-1H-im...)
Show SMILES CN1C(=O)Cn2c3c1cccc3n(CC(=O)Nc1ccc3C[C@@]4(Cc3c1)C(=O)Nc1ncccc41)c2=O |r|
Show InChI InChI=1S/C27H22N6O4/c1-31-19-5-2-6-20-23(19)33(14-22(31)35)26(37)32(20)13-21(34)29-17-8-7-15-11-27(12-16(15)10-17)18-4-3-9-28-24(18)30-25(27)36/h2-10H,11-14H2,1H3,(H,29,34)(H,28,30,36)/t27-/m0/s1
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n/an/a 0.880n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50296789
PNG
(2-(2a-methyl-4-oxo-2a,3,4,5-tetrahydropyrrolo[4,3,...)
Show SMILES CC12CN(CC(=O)Nc3ccc4C[C@@]5(Cc4c3)C(=O)Nc3ncccc53)c3cccc(NC(=O)C1)c23 |r|
Show InChI InChI=1S/C28H25N5O3/c1-27-13-22(34)31-20-5-2-6-21(24(20)27)33(15-27)14-23(35)30-18-8-7-16-11-28(12-17(16)10-18)19-4-3-9-29-25(19)32-26(28)36/h2-10H,11-15H2,1H3,(H,30,35)(H,31,34)(H,29,32,36)/t27?,28-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50296785
PNG
((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...)
Show SMILES O=C(Cn1cc2CC(=O)Nc3cccc1c23)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C27H21N5O3/c33-22-10-17-13-32(21-5-1-4-20(30-22)24(17)21)14-23(34)29-18-7-6-15-11-27(12-16(15)9-18)19-3-2-8-28-25(19)31-26(27)35/h1-9,13H,10-12,14H2,(H,29,34)(H,30,33)(H,28,31,35)/t27-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
More data for this
Ligand-Target Pair
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