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Compile Data Set for Download or QSAR

Found 250 hits with Last Name = 'miller-stein' and Initial = 'cm'   
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))
BDBM50224426
PNG
(CHEMBL238276 | N-{(3R,6S)-6-(2,3-difluorophenyl)-2...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CCOC(F)(F)F)C2)c1F
Show InChI InChI=1S/C27H29F5N6O4/c28-19-4-1-3-18(22(19)29)16-6-7-20(24(39)37(15-16)13-14-42-27(30,31)32)34-25(40)36-11-8-17(9-12-36)38-21-5-2-10-33-23(21)35-26(38)41/h1-5,10,16-17,20H,6-9,11-15H2,(H,34,40)(H,33,35,41)/t16-,20-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
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))
BDBM50224419
PNG
(CHEMBL237662 | N-[(3R,6S)-6-(2,3-difluorophenyl)-1...)
Show SMILES COCCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F
Show InChI InChI=1S/C27H32F2N6O4/c1-39-15-14-34-16-17(19-4-2-5-20(28)23(19)29)7-8-21(25(34)36)31-26(37)33-12-9-18(10-13-33)35-22-6-3-11-30-24(22)32-27(35)38/h2-6,11,17-18,21H,7-10,12-16H2,1H3,(H,31,37)(H,30,32,38)/t17-,21-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
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))
BDBM50224430
PNG
(CHEMBL392636 | N-{(3R,6S)-6-(2,3-difluorophenyl)-1...)
Show SMILES CS(=O)(=O)CCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F
Show InChI InChI=1S/C27H32F2N6O5S/c1-41(39,40)15-14-34-16-17(19-4-2-5-20(28)23(19)29)7-8-21(25(34)36)31-26(37)33-12-9-18(10-13-33)35-22-6-3-11-30-24(22)32-27(35)38/h2-6,11,17-18,21H,7-10,12-16H2,1H3,(H,31,37)(H,30,32,38)/t17-,21-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50224413
PNG
(CHEMBL392634 | N-[(3R,6S)-6-(2,3-difluorophenyl)-1...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CCN3CCOCC3)C2)c1F
Show InChI InChI=1S/C30H37F2N7O4/c31-23-4-1-3-22(26(23)32)20-6-7-24(28(40)38(19-20)14-13-36-15-17-43-18-16-36)34-29(41)37-11-8-21(9-12-37)39-25-5-2-10-33-27(25)35-30(39)42/h1-5,10,20-21,24H,6-9,11-19H2,(H,34,41)(H,33,35,42)/t20-,24-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50224422
PNG
(CHEMBL415263 | N-{(3R,6S)-6-(2,3-difluorophenyl)-1...)
Show SMILES CSCCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F
Show InChI InChI=1S/C27H32F2N6O3S/c1-39-15-14-34-16-17(19-4-2-5-20(28)23(19)29)7-8-21(25(34)36)31-26(37)33-12-9-18(10-13-33)35-22-6-3-11-30-24(22)32-27(35)38/h2-6,11,17-18,21H,7-10,12-16H2,1H3,(H,31,37)(H,30,32,38)/t17-,21-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
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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0.770n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM50224412
PNG
(CHEMBL392635 | N-[(3R,6S)-6-(2,3-difluorophenyl)-2...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(Cc3ccccn3)C2)c1F
Show InChI InChI=1S/C30H31F2N7O3/c31-23-7-3-6-22(26(23)32)19-9-10-24(28(40)38(17-19)18-20-5-1-2-13-33-20)35-29(41)37-15-11-21(12-16-37)39-25-8-4-14-34-27(25)36-30(39)42/h1-8,13-14,19,21,24H,9-12,15-18H2,(H,35,41)(H,34,36,42)/t19-,24-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50224415
PNG
(CHEMBL237849 | N-[(3R,6S)-1-(2,2-difluoroethyl)-6-...)
Show SMILES FC(F)CN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F
Show InChI InChI=1S/C26H28F4N6O3/c27-18-4-1-3-17(22(18)30)15-6-7-19(24(37)35(13-15)14-21(28)29)32-25(38)34-11-8-16(9-12-34)36-20-5-2-10-31-23(20)33-26(36)39/h1-5,10,15-16,19,21H,6-9,11-14H2,(H,32,38)(H,31,33,39)/t15-,19-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
More data for this
Ligand-Target Pair
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))
BDBM50224417
PNG
(CHEMBL392937 | N-[(3R,6S)-6-(2,3-difluorophenyl)-1...)
Show SMILES FCCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F
Show InChI InChI=1S/C26H29F3N6O3/c27-10-14-34-15-16(18-3-1-4-19(28)22(18)29)6-7-20(24(34)36)31-25(37)33-12-8-17(9-13-33)35-21-5-2-11-30-23(21)32-26(35)38/h1-5,11,16-17,20H,6-10,12-15H2,(H,31,37)(H,30,32,38)/t16-,20-/m1/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]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50224421
PNG
(CHEMBL237663 | N-[(3R,6S)-1-(cyclopropylmethyl)-6-...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CC3CC3)C2)c1F
Show InChI InChI=1S/C28H32F2N6O3/c29-21-4-1-3-20(24(21)30)18-8-9-22(26(37)35(16-18)15-17-6-7-17)32-27(38)34-13-10-19(11-14-34)36-23-5-2-12-31-25(23)33-28(36)39/h1-5,12,17-19,22H,6-11,13-16H2,(H,32,38)(H,31,33,39)/t18-,22-/m1/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]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
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))
BDBM50224420
PNG
(CHEMBL392730 | N-{(3R,6S)-6-(2,3-difluorophenyl)-1...)
Show SMILES CS(=O)CCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F
Show InChI InChI=1S/C27H32F2N6O4S/c1-40(39)15-14-34-16-17(19-4-2-5-20(28)23(19)29)7-8-21(25(34)36)31-26(37)33-12-9-18(10-13-33)35-22-6-3-11-30-24(22)32-27(35)38/h2-6,11,17-18,21H,7-10,12-16H2,1H3,(H,31,37)(H,30,32,38)/t17-,21-,40?/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
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))
BDBM50224432
PNG
(CHEMBL237848 | N-[(3R,6S)-6-(2,3-difluorophenyl)-1...)
Show SMILES CCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F
Show InChI InChI=1S/C26H30F2N6O3/c1-2-32-15-16(18-5-3-6-19(27)22(18)28)8-9-20(24(32)35)30-25(36)33-13-10-17(11-14-33)34-21-7-4-12-29-23(21)31-26(34)37/h3-7,12,16-17,20H,2,8-11,13-15H2,1H3,(H,30,36)(H,29,31,37)/t16-,20-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50224411
PNG
(CHEMBL237664 | N-[(3R,6S)-6-(2,3-difluorophenyl)-1...)
Show SMILES CN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F
Show InChI InChI=1S/C25H28F2N6O3/c1-31-14-15(17-4-2-5-18(26)21(17)27)7-8-19(23(31)34)29-24(35)32-12-9-16(10-13-32)33-20-6-3-11-28-22(20)30-25(33)36/h2-6,11,15-16,19H,7-10,12-14H2,1H3,(H,29,35)(H,28,30,36)/t15-,19-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50224424
PNG
(CHEMBL237661 | N-[(3R,6S)-6-(2,3-difluorophenyl)-2...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)NC2)c1F
Show InChI InChI=1S/C24H26F2N6O3/c25-17-4-1-3-16(20(17)26)14-6-7-18(22(33)28-13-14)29-23(34)31-11-8-15(9-12-31)32-19-5-2-10-27-21(19)30-24(32)35/h1-5,10,14-15,18H,6-9,11-13H2,(H,28,33)(H,29,34)(H,27,30,35)/t14-,18-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50224410
PNG
(CHEMBL236590 | N-[(3R,6S)-6-(2,3-difluorophenyl)-1...)
Show SMILES OCCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F
Show InChI InChI=1S/C26H30F2N6O4/c27-19-4-1-3-18(22(19)28)16-6-7-20(24(36)33(15-16)13-14-35)30-25(37)32-11-8-17(9-12-32)34-21-5-2-10-29-23(21)31-26(34)38/h1-5,10,16-17,20,35H,6-9,11-15H2,(H,30,37)(H,29,31,38)/t16-,20-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50224418
PNG
(CHEMBL438120 | N-{(3R,6S)-6-(2,3-difluorophenyl)-1...)
Show SMILES CN(C)CCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F
Show InChI InChI=1S/C28H35F2N7O3/c1-34(2)15-16-36-17-18(20-5-3-6-21(29)24(20)30)8-9-22(26(36)38)32-27(39)35-13-10-19(11-14-35)37-23-7-4-12-31-25(23)33-28(37)40/h3-7,12,18-19,22H,8-11,13-17H2,1-2H3,(H,32,39)(H,31,33,40)/t18-,22-/m1/s1
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4.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
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))
BDBM50224436
PNG
(CHEMBL398575 | N-[(3R,6S)-1-(cyclopropylmethyl)-2-...)
Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C28H34N6O3/c35-26-23(11-10-21(20-5-2-1-3-6-20)18-33(26)17-19-8-9-19)30-27(36)32-15-12-22(13-16-32)34-24-7-4-14-29-25(24)31-28(34)37/h1-7,14,19,21-23H,8-13,15-18H2,(H,30,36)(H,29,31,37)/t21-,23-/m1/s1
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50373781
PNG
(CHEMBL257252)
Show SMILES Fc1cccc(-c2cc(NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c(=O)n(CC(F)(F)F)c2)c1F
Show InChI InChI=1S/C25H21F5N6O3/c26-17-4-1-3-16(20(17)27)14-11-18(22(37)35(12-14)13-25(28,29)30)32-23(38)34-9-6-15(7-10-34)36-19-5-2-8-31-21(19)33-24(36)39/h1-5,8,11-12,15H,6-7,9-10,13H2,(H,32,38)(H,31,33,39)
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17n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50224423
PNG
(CHEMBL239630 | N-[(3R,6S)-6-(2-fluorophenyl)-2-oxo...)
Show SMILES Fc1ccccc1[C@@H]1CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)NC1
Show InChI InChI=1S/C24H27FN6O3/c25-18-5-2-1-4-17(18)15-7-8-19(22(32)27-14-15)28-23(33)30-12-9-16(10-13-30)31-20-6-3-11-26-21(20)29-24(31)34/h1-6,11,15-16,19H,7-10,12-14H2,(H,27,32)(H,28,33)(H,26,29,34)/t15-,19-/m1/s1
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22n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50224425
PNG
(CHEMBL241118 | N-[(3R)-6-(2-fluorophenyl)-2-oxoaze...)
Show SMILES Fc1ccccc1C1CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)NC1
Show InChI InChI=1S/C24H27FN6O3/c25-18-5-2-1-4-17(18)15-7-8-19(22(32)27-14-15)28-23(33)30-12-9-16(10-13-30)31-20-6-3-11-26-21(20)29-24(31)34/h1-6,11,15-16,19H,7-10,12-14H2,(H,27,32)(H,28,33)(H,26,29,34)/t15?,19-/m1/s1
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37n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50373777
PNG
(CHEMBL257094)
Show SMILES COCCn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)-c1cccc(F)c1F
Show InChI InChI=1S/C26H26F2N6O4/c1-38-13-12-33-15-16(18-4-2-5-19(27)22(18)28)14-20(24(33)35)30-25(36)32-10-7-17(8-11-32)34-21-6-3-9-29-23(21)31-26(34)37/h2-6,9,14-15,17H,7-8,10-13H2,1H3,(H,30,36)(H,29,31,37)
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41n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50373794
PNG
(CHEMBL270175)
Show SMILES Cn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)-c1cccc(O)c1
Show InChI InChI=1S/C24H24N6O4/c1-28-14-16(15-4-2-5-18(31)12-15)13-19(22(28)32)26-23(33)29-10-7-17(8-11-29)30-20-6-3-9-25-21(20)27-24(30)34/h2-6,9,12-14,17,31H,7-8,10-11H2,1H3,(H,26,33)(H,25,27,34)
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42n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50373782
PNG
(CHEMBL256901)
Show SMILES Fc1cccc(c1)-c1cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c(=O)n(CC(F)(F)F)c1
Show InChI InChI=1S/C25H22F4N6O3/c26-17-4-1-3-15(11-17)16-12-19(22(36)34(13-16)14-25(27,28)29)31-23(37)33-9-6-18(7-10-33)35-20-5-2-8-30-21(20)32-24(35)38/h1-5,8,11-13,18H,6-7,9-10,14H2,(H,31,37)(H,30,32,38)
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42n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50373793
PNG
(CHEMBL270390)
Show SMILES Cn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C24H24N6O4/c1-28-14-16(15-4-6-18(31)7-5-15)13-19(22(28)32)26-23(33)29-11-8-17(9-12-29)30-20-3-2-10-25-21(20)27-24(30)34/h2-7,10,13-14,17,31H,8-9,11-12H2,1H3,(H,26,33)(H,25,27,34)
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43n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50224434
PNG
(CHEMBL391660 | N-[(3R,6S)-6-(3-fluorophenyl)-2-oxo...)
Show SMILES Fc1cccc(c1)[C@@H]1CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)NC1
Show InChI InChI=1S/C24H27FN6O3/c25-17-4-1-3-15(13-17)16-6-7-19(22(32)27-14-16)28-23(33)30-11-8-18(9-12-30)31-20-5-2-10-26-21(20)29-24(31)34/h1-5,10,13,16,18-19H,6-9,11-12,14H2,(H,27,32)(H,28,33)(H,26,29,34)/t16-,19-/m1/s1
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51n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50373770
PNG
(CHEMBL428247)
Show SMILES Fc1ccccc1-c1cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c(=O)n(CC(F)(F)F)c1
Show InChI InChI=1S/C25H22F4N6O3/c26-18-5-2-1-4-17(18)15-12-19(22(36)34(13-15)14-25(27,28)29)31-23(37)33-10-7-16(8-11-33)35-20-6-3-9-30-21(20)32-24(35)38/h1-6,9,12-13,16H,7-8,10-11,14H2,(H,31,37)(H,30,32,38)
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54n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50373778
PNG
(CHEMBL257902)
Show SMILES Cn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)C1C=CN=N1 |c:32,34|
Show InChI InChI=1S/C21H22N8O3/c1-27-12-13(15-4-8-23-26-15)11-16(19(27)30)24-20(31)28-9-5-14(6-10-28)29-17-3-2-7-22-18(17)25-21(29)32/h2-4,7-8,11-12,14-15H,5-6,9-10H2,1H3,(H,24,31)(H,22,25,32)
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71n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50373772
PNG
(CHEMBL270796)
Show SMILES COCCn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C26H28N6O5/c1-37-14-13-31-16-18(17-4-6-20(33)7-5-17)15-21(24(31)34)28-25(35)30-11-8-19(9-12-30)32-22-3-2-10-27-23(22)29-26(32)36/h2-7,10,15-16,19,33H,8-9,11-14H2,1H3,(H,28,35)(H,27,29,36)
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74n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50373774
PNG
(CHEMBL257731)
Show SMILES Cn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)-c1ccsc1
Show InChI InChI=1S/C22H22N6O3S/c1-26-12-15(14-6-10-32-13-14)11-17(20(26)29)24-21(30)27-8-4-16(5-9-27)28-18-3-2-7-23-19(18)25-22(28)31/h2-3,6-7,10-13,16H,4-5,8-9H2,1H3,(H,24,30)(H,23,25,31)
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75n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50373776
PNG
(CHEMBL256203)
Show SMILES O=C(Nc1cc(cn(CC2CC2)c1=O)-c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C30H31N5O3/c36-28-26(17-24(22-7-3-1-4-8-22)19-34(28)18-21-11-12-21)31-29(37)33-15-13-25(14-16-33)35-20-27(32-30(35)38)23-9-5-2-6-10-23/h1-10,17,19-21,25H,11-16,18H2,(H,31,37)(H,32,38)
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80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50224414
PNG
(4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl...)
Show SMILES O=C(N[C@@H]1CC[C@H](CNC1=O)c1ccccc1)N1CCC(CC1)n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C24H28N6O3/c31-22-19(9-8-17(15-26-22)16-5-2-1-3-6-16)27-23(32)29-13-10-18(11-14-29)30-20-7-4-12-25-21(20)28-24(30)33/h1-7,12,17-19H,8-11,13-15H2,(H,26,31)(H,27,32)(H,25,28,33)/t17-,19-/m1/s1
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83n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50224435
PNG
(CHEMBL400020 | N-[(3R)-6-(3-fluorophenyl)-2-oxoaze...)
Show SMILES Fc1cccc(c1)C1CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)NC1
Show InChI InChI=1S/C24H27FN6O3/c25-17-4-1-3-15(13-17)16-6-7-19(22(32)27-14-16)28-23(33)30-11-8-18(9-12-30)31-20-5-2-10-26-21(20)29-24(31)34/h1-5,10,13,16,18-19H,6-9,11-12,14H2,(H,27,32)(H,28,33)(H,26,29,34)/t16?,19-/m1/s1
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93n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells


J Med Chem 50: 5564-7 (2007)


Article DOI: 10.1021/jm070668p
BindingDB Entry DOI: 10.7270/Q28C9W02
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50373786
PNG
(CHEMBL255966)
Show SMILES FC(F)(F)Cn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)-c1ccccc1
Show InChI InChI=1S/C25H23F3N6O3/c26-25(27,28)15-33-14-17(16-5-2-1-3-6-16)13-19(22(33)35)30-23(36)32-11-8-18(9-12-32)34-20-7-4-10-29-21(20)31-24(34)37/h1-7,10,13-14,18H,8-9,11-12,15H2,(H,30,36)(H,29,31,37)
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95n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50373783
PNG
(CHEMBL255136)
Show SMILES Oc1ccc(cc1)-c1cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c(=O)n(CC(F)(F)F)c1
Show InChI InChI=1S/C25H23F3N6O4/c26-25(27,28)14-33-13-16(15-3-5-18(35)6-4-15)12-19(22(33)36)30-23(37)32-10-7-17(8-11-32)34-20-2-1-9-29-21(20)31-24(34)38/h1-6,9,12-13,17,35H,7-8,10-11,14H2,(H,30,37)(H,29,31,38)
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96n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50373771
PNG
(CHEMBL255967)
Show SMILES FC(F)(F)Cn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)-c1ccsc1
Show InChI InChI=1S/C23H21F3N6O3S/c24-23(25,26)13-31-11-15(14-5-9-36-12-14)10-17(20(31)33)28-21(34)30-7-3-16(4-8-30)32-18-2-1-6-27-19(18)29-22(32)35/h1-2,5-6,9-12,16H,3-4,7-8,13H2,(H,28,34)(H,27,29,35)
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105n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50373787
PNG
(CHEMBL255998)
Show SMILES COCCn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)-c1ccn[nH]1
Show InChI InChI=1S/C23H26N8O4/c1-35-12-11-30-14-15(17-4-8-25-28-17)13-18(21(30)32)26-22(33)29-9-5-16(6-10-29)31-19-3-2-7-24-20(19)27-23(31)34/h2-4,7-8,13-14,16H,5-6,9-12H2,1H3,(H,25,28)(H,26,33)(H,24,27,34)
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140n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50373791
PNG
(CHEMBL258329)
Show SMILES Cn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)-c1cccc(F)c1
Show InChI InChI=1S/C24H23FN6O3/c1-29-14-16(15-4-2-5-17(25)12-15)13-19(22(29)32)27-23(33)30-10-7-18(8-11-30)31-20-6-3-9-26-21(20)28-24(31)34/h2-6,9,12-14,18H,7-8,10-11H2,1H3,(H,27,33)(H,26,28,34)
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155n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50373790
PNG
(CHEMBL445069)
Show SMILES Cn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)-c1cccc(F)c1F
Show InChI InChI=1S/C24H22F2N6O3/c1-30-13-14(16-4-2-5-17(25)20(16)26)12-18(22(30)33)28-23(34)31-10-7-15(8-11-31)32-19-6-3-9-27-21(19)29-24(32)35/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,28,34)(H,27,29,35)
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166n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50373780
PNG
(CHEMBL403765)
Show SMILES O=C(Nc1cc(cn(CC2CC2)c1=O)-c1ccccc1)N1CCC(CC1)n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C27H28N6O3/c34-25-22(15-20(19-5-2-1-3-6-19)17-32(25)16-18-8-9-18)29-26(35)31-13-10-21(11-14-31)33-23-7-4-12-28-24(23)30-27(33)36/h1-7,12,15,17-18,21H,8-11,13-14,16H2,(H,29,35)(H,28,30,36)
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170n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1


Bioorg Med Chem Lett 18: 755-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.042
BindingDB Entry DOI: 10.7270/Q2T43TZ2
More data for this
Ligand-Target Pair
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