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Compile Data Set for Download or QSAR

Found 100 hits Enz. Inhib. hit(s) with all data for entry = 50043851   
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))		BDBM50184069
PNG
(CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1
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 0.0100n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447327
PNG
(CHEMBL3114495)
Show SMILES CC(C)N1CCN(CC1)c1c(F)cccc1C1SC(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C
Show InChI InChI=1S/C38H53FN6O3S/c1-26(2)41-21-23-43(24-22-41)34-29(10-8-11-30(34)39)36-45(20-16-38(3,4)5)35(47)32(49-36)25-33(46)42-17-14-28(15-18-42)44-19-13-27-9-6-7-12-31(27)40-37(44)48/h6-12,26,28,32,36H,13-25H2,1-5H3,(H,40,48)
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 0.0200n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447325
PNG
(CHEMBL3114676)
Show SMILES CC(C)(C)CCN1[C@H](S[C@@H](CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C1=O)c1cccc(F)c1N1CCN(CC1)C(C)(C)C |r|
Show InChI InChI=1S/C39H55FN6O3S/c1-38(2,3)17-21-46-35(48)32(50-36(46)29-11-9-12-30(40)34(29)43-22-24-44(25-23-43)39(4,5)6)26-33(47)42-18-15-28(16-19-42)45-20-14-27-10-7-8-13-31(27)41-37(45)49/h7-13,28,32,36H,14-26H2,1-6H3,(H,41,49)/t32-,36+/m0/s1
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 0.0300n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447328
PNG
(CHEMBL3114494)
Show SMILES CCN1CCN(CC1)c1c(F)cccc1C1SC(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C
Show InChI InChI=1S/C37H51FN6O3S/c1-5-40-21-23-42(24-22-40)33-28(10-8-11-29(33)38)35-44(20-16-37(2,3)4)34(46)31(48-35)25-32(45)41-17-14-27(15-18-41)43-19-13-26-9-6-7-12-30(26)39-36(43)47/h6-12,27,31,35H,5,13-25H2,1-4H3,(H,39,47)
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 0.0700n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447326
PNG
(CHEMBL3114496)
Show SMILES CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C1=O)c1cccc(F)c1N1CCN(CC1)C(C)(C)C
Show InChI InChI=1S/C39H55FN6O3S/c1-38(2,3)17-21-46-35(48)32(50-36(46)29-11-9-12-30(40)34(29)43-22-24-44(25-23-43)39(4,5)6)26-33(47)42-18-15-28(16-19-42)45-20-14-27-10-7-8-13-31(27)41-37(45)49/h7-13,28,32,36H,14-26H2,1-6H3,(H,41,49)
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 0.100n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447332
PNG
(CHEMBL3114490)
Show SMILES CN1CCN(CC1)c1c(F)cccc1C1SC(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C
Show InChI InChI=1S/C36H49FN6O3S/c1-36(2,3)15-19-43-33(45)30(47-34(43)27-9-7-10-28(37)32(27)41-22-20-39(4)21-23-41)24-31(44)40-16-13-26(14-17-40)42-18-12-25-8-5-6-11-29(25)38-35(42)46/h5-11,26,30,34H,12-24H2,1-4H3,(H,38,46)
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 0.5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447335
PNG
(CHEMBL3114486)
Show SMILES CN1CCN(CC1)c1ccccc1[C@@H]1S[C@H](CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C |r|
Show InChI InChI=1S/C35H48N6O3S/c1-35(2,3)15-18-40-32(43)30(45-33(40)27-10-6-8-12-29(27)38-21-19-37(4)20-22-38)23-31(42)39-16-13-26(14-17-39)41-24-25-9-5-7-11-28(25)36-34(41)44/h5-12,26,30,33H,13-24H2,1-4H3,(H,36,44)/t30-,33+/m1/s1
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 0.900n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447324
PNG
(CHEMBL3114677)
Show SMILES CC(C)(C)CCN1[C@@H](S[C@@H](CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C1=O)c1cccc(F)c1N1CCN(CC1)C(C)(C)C |r|
Show InChI InChI=1S/C39H55FN6O3S/c1-38(2,3)17-21-46-35(48)32(50-36(46)29-11-9-12-30(40)34(29)43-22-24-44(25-23-43)39(4,5)6)26-33(47)42-18-15-28(16-19-42)45-20-14-27-10-7-8-13-31(27)41-37(45)49/h7-13,28,32,36H,14-26H2,1-6H3,(H,41,49)/t32-,36-/m0/s1
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 1n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447329
PNG
(CHEMBL3114493)
Show SMILES CN1CCN(CC1)c1cccc(F)c1C1SC(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C
Show InChI InChI=1S/C36H49FN6O3S/c1-36(2,3)15-19-43-33(45)30(47-34(43)32-27(37)9-7-11-29(32)40-22-20-39(4)21-23-40)24-31(44)41-16-13-26(14-17-41)42-18-12-25-8-5-6-10-28(25)38-35(42)46/h5-11,26,30,34H,12-24H2,1-4H3,(H,38,46)
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 1n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447333
PNG
(CHEMBL3114489)
Show SMILES CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C1=O)c1ccccc1N1CCNCC1
Show InChI InChI=1S/C35H48N6O3S/c1-35(2,3)15-21-41-32(43)30(45-33(41)27-9-5-7-11-29(27)38-22-16-36-17-23-38)24-31(42)39-18-13-26(14-19-39)40-20-12-25-8-4-6-10-28(25)37-34(40)44/h4-11,26,30,33,36H,12-24H2,1-3H3,(H,37,44)
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 1n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447345
PNG
(CHEMBL3114476)
Show SMILES CN1CCN(CC1)c1ccccc1C1SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C
Show InChI InChI=1S/C35H48N6O3S/c1-35(2,3)15-18-40-32(43)30(45-33(40)27-10-6-8-12-29(27)38-21-19-37(4)20-22-38)23-31(42)39-16-13-26(14-17-39)41-24-25-9-5-7-11-28(25)36-34(41)44/h5-12,26,30,33H,13-24H2,1-4H3,(H,36,44)
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 2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447323
PNG
(CHEMBL3114488)
Show SMILES CN1CCN(CC1)c1ccccc1C1SC(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C
Show InChI InChI=1S/C36H50N6O3S/c1-36(2,3)16-20-42-33(44)31(46-34(42)28-10-6-8-12-30(28)39-23-21-38(4)22-24-39)25-32(43)40-17-14-27(15-18-40)41-19-13-26-9-5-7-11-29(26)37-35(41)45/h5-12,27,31,34H,13-25H2,1-4H3,(H,37,45)
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 2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447337
PNG
(CHEMBL3114484)
Show SMILES CN1CCN(CC1)c1ccccc1[C@H]1S[C@@H](CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C |r|
Show InChI InChI=1S/C35H48N6O3S/c1-35(2,3)15-18-40-32(43)30(45-33(40)27-10-6-8-12-29(27)38-21-19-37(4)20-22-38)23-31(42)39-16-13-26(14-17-39)41-24-25-9-5-7-11-28(25)36-34(41)44/h5-12,26,30,33H,13-24H2,1-4H3,(H,36,44)/t30-,33+/m0/s1
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 2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447347
PNG
(CHEMBL3114474)
Show SMILES CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1N1CCNCC1
Show InChI InChI=1S/C34H46N6O3S/c1-34(2,3)14-19-39-31(42)29(44-32(39)26-9-5-7-11-28(26)37-20-15-35-16-21-37)22-30(41)38-17-12-25(13-18-38)40-23-24-8-4-6-10-27(24)36-33(40)43/h4-11,25,29,32,35H,12-23H2,1-3H3,(H,36,43)
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 2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447339
PNG
(CHEMBL3114482)
Show SMILES CCCCN1CCN(CC1)c1ccccc1C1SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C
Show InChI InChI=1S/C38H54N6O3S/c1-5-6-18-40-22-24-41(25-23-40)32-14-10-8-12-30(32)36-43(21-17-38(2,3)4)35(46)33(48-36)26-34(45)42-19-15-29(16-20-42)44-27-28-11-7-9-13-31(28)39-37(44)47/h7-14,29,33,36H,5-6,15-27H2,1-4H3,(H,39,47)
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 3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447343
PNG
(CHEMBL3114478)
Show SMILES CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1-n1ccnc1
Show InChI InChI=1S/C33H40N6O3S/c1-33(2,3)14-18-38-30(41)28(43-31(38)25-9-5-7-11-27(25)37-19-15-34-22-37)20-29(40)36-16-12-24(13-17-36)39-21-23-8-4-6-10-26(23)35-32(39)42/h4-11,15,19,22,24,28,31H,12-14,16-18,20-21H2,1-3H3,(H,35,42)
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 7n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447338
PNG
(CHEMBL3114483)
Show SMILES CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1N1CCN(CCO)CC1
Show InChI InChI=1S/C36H50N6O4S/c1-36(2,3)14-17-41-33(45)31(47-34(41)28-9-5-7-11-30(28)39-20-18-38(19-21-39)22-23-43)24-32(44)40-15-12-27(13-16-40)42-25-26-8-4-6-10-29(26)37-35(42)46/h4-11,27,31,34,43H,12-25H2,1-3H3,(H,37,46)
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 8n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447356
PNG
(CHEMBL3114465)
Show SMILES CC(C)(C)CN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
Show InChI InChI=1S/C29H36N4O3S/c1-29(2,3)19-33-26(35)24(37-27(33)20-9-5-4-6-10-20)17-25(34)31-15-13-22(14-16-31)32-18-21-11-7-8-12-23(21)30-28(32)36/h4-12,22,24,27H,13-19H2,1-3H3,(H,30,36)
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 9n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447336
PNG
(CHEMBL3114485)
Show SMILES CN1CCN(CC1)c1ccccc1[C@H]1S[C@H](CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C |r|
Show InChI InChI=1S/C35H48N6O3S/c1-35(2,3)15-18-40-32(43)30(45-33(40)27-10-6-8-12-29(27)38-21-19-37(4)20-22-38)23-31(42)39-16-13-26(14-17-39)41-24-25-9-5-7-11-28(25)36-34(41)44/h5-12,26,30,33H,13-24H2,1-4H3,(H,36,44)/t30-,33-/m1/s1
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 10n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447330
PNG
(CHEMBL3114492)
Show SMILES CN1CCN(CC1)c1ccc(F)cc1C1SC(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C
Show InChI InChI=1S/C36H49FN6O3S/c1-36(2,3)14-18-43-33(45)31(47-34(43)28-23-26(37)9-10-30(28)40-21-19-39(4)20-22-40)24-32(44)41-15-12-27(13-16-41)42-17-11-25-7-5-6-8-29(25)38-35(42)46/h5-10,23,27,31,34H,11-22,24H2,1-4H3,(H,38,46)
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 14n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447331
PNG
(CHEMBL3114491)
Show SMILES CN1CCN(CC1)c1cc(F)ccc1C1SC(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C
Show InChI InChI=1S/C36H49FN6O3S/c1-36(2,3)14-18-43-33(45)31(47-34(43)28-10-9-26(37)23-30(28)40-21-19-39(4)20-22-40)24-32(44)41-15-12-27(13-16-41)42-17-11-25-7-5-6-8-29(25)38-35(42)46/h5-10,23,27,31,34H,11-22,24H2,1-4H3,(H,38,46)
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 14n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447344
PNG
(CHEMBL3114477)
Show SMILES CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1N1CCC(O)CC1
Show InChI InChI=1S/C35H47N5O4S/c1-35(2,3)16-21-39-32(43)30(45-33(39)27-9-5-7-11-29(27)37-19-14-26(41)15-20-37)22-31(42)38-17-12-25(13-18-38)40-23-24-8-4-6-10-28(24)36-34(40)44/h4-11,25-26,30,33,41H,12-23H2,1-3H3,(H,36,44)
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 18n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447340
PNG
(CHEMBL3114481)
Show SMILES CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1-c1ccncc1
Show InChI InChI=1S/C35H41N5O3S/c1-35(2,3)16-21-39-32(42)30(44-33(39)28-10-6-5-9-27(28)24-12-17-36-18-13-24)22-31(41)38-19-14-26(15-20-38)40-23-25-8-4-7-11-29(25)37-34(40)43/h4-13,17-18,26,30,33H,14-16,19-23H2,1-3H3,(H,37,43)
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 20n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447341
PNG
(CHEMBL3114480)
Show SMILES CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C35H41N5O3S/c1-35(2,3)16-20-39-32(42)30(44-33(39)28-12-6-5-11-27(28)24-10-8-17-36-22-24)21-31(41)38-18-14-26(15-19-38)40-23-25-9-4-7-13-29(25)37-34(40)43/h4-13,17,22,26,30,33H,14-16,18-21,23H2,1-3H3,(H,37,43)
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 22n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447349
PNG
(CHEMBL3114472)
Show SMILES CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccc(F)cc1F
Show InChI InChI=1S/C30H36F2N4O3S/c1-30(2,3)12-15-35-27(38)25(40-28(35)22-9-8-20(31)16-23(22)32)17-26(37)34-13-10-21(11-14-34)36-18-19-6-4-5-7-24(19)33-29(36)39/h4-9,16,21,25,28H,10-15,17-18H2,1-3H3,(H,33,39)
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 30n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447370
PNG
(CHEMBL3114679)
Show SMILES CC(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
Show InChI InChI=1S/C29H36N4O3S/c1-20(2)12-17-32-27(35)25(37-28(32)21-8-4-3-5-9-21)18-26(34)31-15-13-23(14-16-31)33-19-22-10-6-7-11-24(22)30-29(33)36/h3-11,20,23,25,28H,12-19H2,1-2H3,(H,30,36)
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 32n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447364
PNG
(CHEMBL3114457)
Show SMILES CC(C)CN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
Show InChI InChI=1S/C28H34N4O3S/c1-19(2)17-32-26(34)24(36-27(32)20-8-4-3-5-9-20)16-25(33)30-14-12-22(13-15-30)31-18-21-10-6-7-11-23(21)29-28(31)35/h3-11,19,22,24,27H,12-18H2,1-2H3,(H,29,35)
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 32n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447342
PNG
(CHEMBL3114479)
Show SMILES CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1-n1cccn1
Show InChI InChI=1S/C33H40N6O3S/c1-33(2,3)15-20-37-30(41)28(43-31(37)25-10-5-7-12-27(25)39-17-8-16-34-39)21-29(40)36-18-13-24(14-19-36)38-22-23-9-4-6-11-26(23)35-32(38)42/h4-12,16-17,24,28,31H,13-15,18-22H2,1-3H3,(H,35,42)
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 40n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447366
PNG
(CHEMBL3114455)
Show SMILES O=C(CC1SC(N(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C28H32N4O3S/c33-25(16-24-26(34)32(17-19-10-11-19)27(36-24)20-6-2-1-3-7-20)30-14-12-22(13-15-30)31-18-21-8-4-5-9-23(21)29-28(31)35/h1-9,19,22,24,27H,10-18H2,(H,29,35)
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 45n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447346
PNG
(CHEMBL3114475)
Show SMILES CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1N1CCOCC1
Show InChI InChI=1S/C34H45N5O4S/c1-34(2,3)14-17-38-31(41)29(44-32(38)26-9-5-7-11-28(26)36-18-20-43-21-19-36)22-30(40)37-15-12-25(13-16-37)39-23-24-8-4-6-10-27(24)35-33(39)42/h4-11,25,29,32H,12-23H2,1-3H3,(H,35,42)
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 52n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447351
PNG
(CHEMBL3114470)
Show SMILES CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1F
Show InChI InChI=1S/C30H37FN4O3S/c1-30(2,3)14-17-34-27(37)25(39-28(34)22-9-5-6-10-23(22)31)18-26(36)33-15-12-21(13-16-33)35-19-20-8-4-7-11-24(20)32-29(35)38/h4-11,21,25,28H,12-19H2,1-3H3,(H,32,38)
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 54n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447354
PNG
(CHEMBL3114467)
Show SMILES Fc1ccc(CN2C(SC(CC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C31H31FN4O3S/c32-24-12-10-21(11-13-24)19-36-29(38)27(40-30(36)22-6-2-1-3-7-22)18-28(37)34-16-14-25(15-17-34)35-20-23-8-4-5-9-26(23)33-31(35)39/h1-13,25,27,30H,14-20H2,(H,33,39)
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 56n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447348
PNG
(CHEMBL3114473)
Show SMILES CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1c(F)cccc1F
Show InChI InChI=1S/C30H36F2N4O3S/c1-30(2,3)13-16-35-27(38)24(40-28(35)26-21(31)8-6-9-22(26)32)17-25(37)34-14-11-20(12-15-34)36-18-19-7-4-5-10-23(19)33-29(36)39/h4-10,20,24,28H,11-18H2,1-3H3,(H,33,39)
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 59n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447365
PNG
(CHEMBL3114456)
Show SMILES CCCCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
Show InChI InChI=1S/C28H34N4O3S/c1-2-3-15-31-26(34)24(36-27(31)20-9-5-4-6-10-20)18-25(33)30-16-13-22(14-17-30)32-19-21-11-7-8-12-23(21)29-28(32)35/h4-12,22,24,27H,2-3,13-19H2,1H3,(H,29,35)
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 64n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447357
PNG
(CHEMBL3114464)
Show SMILES O=C(CC1SC(N(CC2CCCO2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C29H34N4O4S/c34-26(31-14-12-22(13-15-31)32-18-21-9-4-5-11-24(21)30-29(32)36)17-25-27(35)33(19-23-10-6-16-37-23)28(38-25)20-7-2-1-3-8-20/h1-5,7-9,11,22-23,25,28H,6,10,12-19H2,(H,30,36)
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 68n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447358
PNG
(CHEMBL3114463)
Show SMILES O=C(CC1SC(N(C2CCCCC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C30H36N4O3S/c35-27(32-17-15-23(16-18-32)33-20-22-11-7-8-14-25(22)31-30(33)37)19-26-28(36)34(24-12-5-2-6-13-24)29(38-26)21-9-3-1-4-10-21/h1,3-4,7-11,14,23-24,26,29H,2,5-6,12-13,15-20H2,(H,31,37)
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 88n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447368
PNG
(CHEMBL3114681)
Show SMILES CC(C)N1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
Show InChI InChI=1S/C27H32N4O3S/c1-18(2)31-25(33)23(35-26(31)19-8-4-3-5-9-19)16-24(32)29-14-12-21(13-15-29)30-17-20-10-6-7-11-22(20)28-27(30)34/h3-11,18,21,23,26H,12-17H2,1-2H3,(H,28,34)
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 115n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447350
PNG
(CHEMBL3114471)
Show SMILES CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1cccc(F)c1F
Show InChI InChI=1S/C30H36F2N4O3S/c1-30(2,3)13-16-35-27(38)24(40-28(35)21-8-6-9-22(31)26(21)32)17-25(37)34-14-11-20(12-15-34)36-18-19-7-4-5-10-23(19)33-29(36)39/h4-10,20,24,28H,11-18H2,1-3H3,(H,33,39)
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 118n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447361
PNG
(CHEMBL3114460)
Show SMILES COCCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
Show InChI InChI=1S/C27H32N4O4S/c1-35-16-15-30-25(33)23(36-26(30)19-7-3-2-4-8-19)17-24(32)29-13-11-21(12-14-29)31-18-20-9-5-6-10-22(20)28-27(31)34/h2-10,21,23,26H,11-18H2,1H3,(H,28,34)
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 124n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447352
PNG
(CHEMBL3114469)
Show SMILES O=C(CC1SC(N(CCc2ccccn2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C31H33N5O3S/c37-28(34-17-14-25(15-18-34)36-21-23-10-4-5-12-26(23)33-31(36)39)20-27-29(38)35(19-13-24-11-6-7-16-32-24)30(40-27)22-8-2-1-3-9-22/h1-12,16,25,27,30H,13-15,17-21H2,(H,33,39)
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 202n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447369
PNG
(CHEMBL3114680)
Show SMILES CN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
Show InChI InChI=1S/C25H28N4O3S/c1-27-23(31)21(33-24(27)17-7-3-2-4-8-17)15-22(30)28-13-11-19(12-14-28)29-16-18-9-5-6-10-20(18)26-25(29)32/h2-10,19,21,24H,11-16H2,1H3,(H,26,32)
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 203n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447353
PNG
(CHEMBL3114468)
Show SMILES O=C(CC1SC(N(Cc2cccnc2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C30H31N5O3S/c36-27(33-15-12-24(13-16-33)34-20-23-10-4-5-11-25(23)32-30(34)38)17-26-28(37)35(19-21-7-6-14-31-18-21)29(39-26)22-8-2-1-3-9-22/h1-11,14,18,24,26,29H,12-13,15-17,19-20H2,(H,32,38)
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 260n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447371
PNG
(CHEMBL3114678)
Show SMILES CC(C)CCN(Cc1cc(Br)c(O)c(Br)c1)C(=O)CCC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C29H36Br2N4O4/c1-19(2)9-12-34(17-20-15-23(30)28(38)24(31)16-20)27(37)8-7-26(36)33-13-10-22(11-14-33)35-18-21-5-3-4-6-25(21)32-29(35)39/h3-6,15-16,19,22,38H,7-14,17-18H2,1-2H3,(H,32,39)
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 282n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447359
PNG
(CHEMBL3114462)
Show SMILES CC(N1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H34N4O3S/c1-22(23-10-4-2-5-11-23)36-30(38)28(40-31(36)24-12-6-3-7-13-24)20-29(37)34-18-16-26(17-19-34)35-21-25-14-8-9-15-27(25)33-32(35)39/h2-15,22,26,28,31H,16-21H2,1H3,(H,33,39)
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 297n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447360
PNG
(CHEMBL3114461)
Show SMILES CCN(CC)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
Show InChI InChI=1S/C30H39N5O3S/c1-3-32(4-2)18-19-34-28(37)26(39-29(34)22-10-6-5-7-11-22)20-27(36)33-16-14-24(15-17-33)35-21-23-12-8-9-13-25(23)31-30(35)38/h5-13,24,26,29H,3-4,14-21H2,1-2H3,(H,31,38)
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 303n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447362
PNG
(CHEMBL3114459)
Show SMILES FC(F)(F)CN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
Show InChI InChI=1S/C26H27F3N4O3S/c27-26(28,29)16-33-23(35)21(37-24(33)17-6-2-1-3-7-17)14-22(34)31-12-10-19(11-13-31)32-15-18-8-4-5-9-20(18)30-25(32)36/h1-9,19,21,24H,10-16H2,(H,30,36)
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 763n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447355
PNG
(CHEMBL3114466)
Show SMILES O=C(CC1SC(N(C1=O)c1ccccc1)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C30H30N4O3S/c35-27(32-17-15-23(16-18-32)33-20-22-11-7-8-14-25(22)31-30(33)37)19-26-28(36)34(24-12-5-2-6-13-24)29(38-26)21-9-3-1-4-10-21/h1-14,23,26,29H,15-20H2,(H,31,37)
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 806n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447367
PNG
(CHEMBL3114454)
Show SMILES O=C(CC1SC(N(C2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O
Show InChI InChI=1S/C27H30N4O3S/c32-24(16-23-25(33)31(21-10-11-21)26(35-23)18-6-2-1-3-7-18)29-14-12-20(13-15-29)30-17-19-8-4-5-9-22(19)28-27(30)34/h1-9,20-21,23,26H,10-17H2,(H,28,34)
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 865n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447334
PNG
(CHEMBL3114487)
Show SMILES CN1CCN(CC1)c1ccccc1[C@@H]1S[C@@H](CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C |r|
Show InChI InChI=1S/C35H48N6O3S/c1-35(2,3)15-18-40-32(43)30(45-33(40)27-10-6-8-12-29(27)38-21-19-37(4)20-22-38)23-31(42)39-16-13-26(14-17-39)41-24-25-9-5-7-11-28(25)36-34(41)44/h5-12,26,30,33H,13-24H2,1-4H3,(H,36,44)/t30-,33-/m0/s1
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 1.80E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50447363
PNG
(CHEMBL3114458)
Show SMILES CC(C)(C)N1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
Show InChI InChI=1S/C28H34N4O3S/c1-28(2,3)32-25(34)23(36-26(32)19-9-5-4-6-10-19)17-24(33)30-15-13-21(14-16-30)31-18-20-11-7-8-12-22(20)29-27(31)35/h4-12,21,23,26H,13-18H2,1-3H3,(H,29,35)
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 1.88E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...

Bioorg Med Chem Lett 24: 845-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.089
BindingDB Entry DOI: 10.7270/Q2FJ2J84
More data for this
Ligand-Target Pair
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