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PubMed code 16161996

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173468
PNG
(4-(2-Oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin...)
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+/m1/s1
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n/an/a 0.0300n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173482
PNG
(4-(2-Oxo-4-phenyl-2,3-dihydro-imidazol-1-yl)-piper...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C39H47Br2N9O5/c40-30-22-26(23-31(41)35(30)51)24-33(45-38(54)49-16-11-29(12-17-49)50-25-34(46-39(50)55)27-6-2-1-3-7-27)36(52)44-32(8-4-5-13-42)37(53)48-20-18-47(19-21-48)28-9-14-43-15-10-28/h1-3,6-7,9-10,14-15,22-23,25,29,32-33,51H,4-5,8,11-13,16-21,24,42H2,(H,44,52)(H,45,54)(H,46,55)/t32-,33+/m1/s1
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n/an/a 0.0500n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173468
PNG
(4-(2-Oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin...)
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+/m1/s1
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n/an/a 0.0600n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against calcitonin gene related peptide receptor (1 uM) in marmoset tissue homogenates using [125I]-CGRP as radioligand after 180 minutes of...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173475
PNG
(4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C37H45Br2N9O5/c38-27-21-24(22-28(39)33(27)49)23-31(44-36(52)47-15-10-26(11-16-47)48-32-7-2-1-5-29(32)43-37(48)53)34(50)42-30(6-3-4-12-40)35(51)46-19-17-45(18-20-46)25-8-13-41-14-9-25/h1-2,5,7-9,13-14,21-22,26,30-31,49H,3-4,6,10-12,15-20,23,40H2,(H,42,50)(H,43,53)(H,44,52)/t30-,31+/m1/s1
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n/an/a 0.200n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173475
PNG
(4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C37H45Br2N9O5/c38-27-21-24(22-28(39)33(27)49)23-31(44-36(52)47-15-10-26(11-16-47)48-32-7-2-1-5-29(32)43-37(48)53)34(50)42-30(6-3-4-12-40)35(51)46-19-17-45(18-20-46)25-8-13-41-14-9-25/h1-2,5,7-9,13-14,21-22,26,30-31,49H,3-4,6,10-12,15-20,23,40H2,(H,42,50)(H,43,53)(H,44,52)/t30-,31+/m1/s1
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n/an/a 2.70n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against calcitonin gene related peptide receptor (1 uM) in marmoset tissue homogenates using [125I]-CGRP as radioligand after 180 minutes of...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173472
PNG
(4-(1-Phenyl-ureido)-piperidine-1-carboxylic acid [...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N(C(N)=O)c1ccccc1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C37H47Br2N9O5/c38-29-22-25(23-30(39)33(29)49)24-32(44-37(53)47-16-11-28(12-17-47)48(36(41)52)27-6-2-1-3-7-27)34(50)43-31(8-4-5-13-40)35(51)46-20-18-45(19-21-46)26-9-14-42-15-10-26/h1-3,6-7,9-10,14-15,22-23,28,31-32,49H,4-5,8,11-13,16-21,24,40H2,(H2,41,52)(H,43,50)(H,44,53)/t31-,32+/m1/s1
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n/an/a 4.70n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Rattus norvegicus)
BDBM50173468
PNG
(4-(2-Oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin...)
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+/m1/s1
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n/an/a 6.40n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against calcitonin gene related peptide receptor (1 uM) in rat spleen using [125I]-CGRP as radioligand after 180 minutes of incubation at pH...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173486
PNG
(4-(2-Oxo-benzooxazol-3-yl)-piperidine-1-carboxylic...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)n1c2ccccc2oc1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C37H44Br2N8O6/c38-27-21-24(22-28(39)33(27)48)23-30(43-36(51)46-15-10-26(11-16-46)47-31-6-1-2-7-32(31)53-37(47)52)34(49)42-29(5-3-4-12-40)35(50)45-19-17-44(18-20-45)25-8-13-41-14-9-25/h1-2,6-9,13-14,21-22,26,29-30,48H,3-5,10-12,15-20,23,40H2,(H,42,49)(H,43,51)/t29-,30+/m1/s1
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n/an/a 44n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Rattus norvegicus)
BDBM50173475
PNG
(4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C37H45Br2N9O5/c38-27-21-24(22-28(39)33(27)49)23-31(44-36(52)47-15-10-26(11-16-47)48-32-7-2-1-5-29(32)43-37(48)53)34(50)42-30(6-3-4-12-40)35(51)46-19-17-45(18-20-46)25-8-13-41-14-9-25/h1-2,5,7-9,13-14,21-22,26,30-31,49H,3-4,6,10-12,15-20,23,40H2,(H,42,50)(H,43,53)(H,44,52)/t30-,31+/m1/s1
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n/an/a 56.7n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against calcitonin gene related peptide receptor (1 uM) in rat spleen using [125I]-CGRP as radioligand after 180 minutes of incubation at pH...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173477
PNG
((S)-N-[(R)-5-Amino-1-(4-pyridin-4-yl-piperazine-1-...)
Show SMILES COc1cccc(CCNC(=O)N[C@@H](Cc2cc(Br)c(O)c(Br)c2)C(=O)N[C@H](CCCCN)C(=O)N2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C34H43Br2N7O5/c1-48-26-6-4-5-23(19-26)8-14-39-34(47)41-30(22-24-20-27(35)31(44)28(36)21-24)32(45)40-29(7-2-3-11-37)33(46)43-17-15-42(16-18-43)25-9-12-38-13-10-25/h4-6,9-10,12-13,19-21,29-30,44H,2-3,7-8,11,14-18,22,37H2,1H3,(H,40,45)(H2,39,41,47)/t29-,30+/m1/s1
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n/an/a 200n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173473
PNG
(4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)N[C@H](CCCCN)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C36H46Br2N8O5/c1-51-32-8-3-2-7-31(32)44-16-20-46(21-17-44)36(50)42-30(24-25-22-27(37)33(47)28(38)23-25)34(48)41-29(6-4-5-11-39)35(49)45-18-14-43(15-19-45)26-9-12-40-13-10-26/h2-3,7-10,12-13,22-23,29-30,47H,4-6,11,14-21,24,39H2,1H3,(H,41,48)(H,42,50)/t29-,30+/m1/s1
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n/an/a 226n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173478
PNG
(4-(2-Methoxy-phenyl)-piperidine-1-carboxylic acid ...)
Show SMILES COc1ccccc1C1CCN(CC1)C(=O)N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)N[C@H](CCCCN)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C37H47Br2N7O5/c1-51-33-8-3-2-6-28(33)26-11-16-46(17-12-26)37(50)43-32(24-25-22-29(38)34(47)30(39)23-25)35(48)42-31(7-4-5-13-40)36(49)45-20-18-44(19-21-45)27-9-14-41-15-10-27/h2-3,6,8-10,14-15,22-23,26,31-32,47H,4-5,7,11-13,16-21,24,40H2,1H3,(H,42,48)(H,43,50)/t31-,32+/m1/s1
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n/an/a 250n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173476
PNG
((S)-N-[(R)-5-Amino-1-(4-pyridin-4-yl-piperazine-1-...)
Show SMILES COc1ccccc1CCNC(=O)N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)N[C@H](CCCCN)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C34H43Br2N7O5/c1-48-30-8-3-2-6-24(30)9-15-39-34(47)41-29(22-23-20-26(35)31(44)27(36)21-23)32(45)40-28(7-4-5-12-37)33(46)43-18-16-42(17-19-43)25-10-13-38-14-11-25/h2-3,6,8,10-11,13-14,20-21,28-29,44H,4-5,7,9,12,15-19,22,37H2,1H3,(H,40,45)(H2,39,41,47)/t28-,29+/m1/s1
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n/an/a 1.00E+3n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173471
PNG
(CHEMBL198311 | N-{(S)-2-(4-Amino-3,5-dibromo-pheny...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(N)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C34H43Br2N7O3/c35-27-21-25(22-28(36)32(27)38)23-30(40-31(44)11-6-9-24-7-2-1-3-8-24)33(45)41-29(10-4-5-14-37)34(46)43-19-17-42(18-20-43)26-12-15-39-16-13-26/h1-3,7-8,12-13,15-16,21-22,29-30H,4-6,9-11,14,17-20,23,37-38H2,(H,40,44)(H,41,45)/t29-,30+/m1/s1
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n/an/a 1.03E+4n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173467
PNG
((R)-6-Amino-2-((S)-3-(3,5-dibromo-4-hydroxy-phenyl...)
Show SMILES COc1ccccc1CCNC(=O)N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)N[C@H](CCCCN)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C33H41Br2N5O5/c1-45-29-13-6-5-11-24(29)15-18-38-33(44)40-28(21-23-19-25(34)30(41)26(35)20-23)32(43)39-27(12-7-8-16-36)31(42)37-17-14-22-9-3-2-4-10-22/h2-6,9-11,13,19-20,27-28,41H,7-8,12,14-18,21,36H2,1H3,(H,37,42)(H,39,43)(H2,38,40,44)/t27-,28+/m1/s1
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n/an/a 1.30E+4n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173479
PNG
((R)-6-Amino-2-[(S)-3-(3,5-dibromo-4-hydroxy-phenyl...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C33H40Br2N4O4/c34-26-20-25(21-27(35)31(26)41)22-29(38-30(40)16-9-14-23-10-3-1-4-11-23)33(43)39-28(15-7-8-18-36)32(42)37-19-17-24-12-5-2-6-13-24/h1-6,10-13,20-21,28-29,41H,7-9,14-19,22,36H2,(H,37,42)(H,38,40)(H,39,43)/t28-,29+/m1/s1
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n/an/a 1.70E+4n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173485
PNG
((R)-6-Amino-2-[(S)-3-(4-amino-3,5-dibromo-phenyl)-...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(N)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C33H41Br2N5O3/c34-26-20-25(21-27(35)31(26)37)22-29(39-30(41)16-9-14-23-10-3-1-4-11-23)33(43)40-28(15-7-8-18-36)32(42)38-19-17-24-12-5-2-6-13-24/h1-6,10-13,20-21,28-29H,7-9,14-19,22,36-37H2,(H,38,42)(H,39,41)(H,40,43)/t28-,29+/m1/s1
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n/an/a 4.00E+4n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173484
PNG
((R)-6-Amino-2-[(S)-3-(4-amino-3,5-dibromo-phenyl)-...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(N)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C31H37Br2N5O3/c32-24-18-22(19-25(33)29(24)35)20-27(37-28(39)16-9-12-21-10-3-1-4-11-21)31(41)38-26(15-7-8-17-34)30(40)36-23-13-5-2-6-14-23/h1-6,10-11,13-14,18-19,26-27H,7-9,12,15-17,20,34-35H2,(H,36,40)(H,37,39)(H,38,41)/t26-,27+/m1/s1
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n/an/a 5.00E+4n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Rattus norvegicus)
BDBM50173477
PNG
((S)-N-[(R)-5-Amino-1-(4-pyridin-4-yl-piperazine-1-...)
Show SMILES COc1cccc(CCNC(=O)N[C@@H](Cc2cc(Br)c(O)c(Br)c2)C(=O)N[C@H](CCCCN)C(=O)N2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C34H43Br2N7O5/c1-48-26-6-4-5-23(19-26)8-14-39-34(47)41-30(22-24-20-27(35)31(44)28(36)21-24)32(45)40-29(7-2-3-11-37)33(46)43-17-15-42(16-18-43)25-9-12-38-13-10-25/h4-6,9-10,12-13,19-21,29-30,44H,2-3,7-8,11,14-18,22,37H2,1H3,(H,40,45)(H2,39,41,47)/t29-,30+/m1/s1
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n/an/a 7.05E+4n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against calcitonin gene related peptide receptor (1 uM) in rat spleen using [125I]-CGRP as radioligand after 180 minutes of incubation at pH...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173481
PNG
((R)-6-Amino-2-[(S)-3-(4-amino-3,5-dibromo-phenyl)-...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(N)c(Br)c1)NC(=O)CCc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H39Br2N5O3/c33-25-19-24(20-26(34)30(25)36)21-28(38-29(40)15-14-22-9-3-1-4-10-22)32(42)39-27(13-7-8-17-35)31(41)37-18-16-23-11-5-2-6-12-23/h1-6,9-12,19-20,27-28H,7-8,13-18,21,35-36H2,(H,37,41)(H,38,40)(H,39,42)/t27-,28+/m1/s1
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n/an/a 1.96E+5n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173483
PNG
((S)-6-Amino-2-[(R)-3-(3,5-dibromo-4-hydroxy-phenyl...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C33H40Br2N4O4/c34-26-20-25(21-27(35)31(26)41)22-29(38-30(40)16-9-14-23-10-3-1-4-11-23)33(43)39-28(15-7-8-18-36)32(42)37-19-17-24-12-5-2-6-13-24/h1-6,10-13,20-21,28-29,41H,7-9,14-19,22,36H2,(H,37,42)(H,38,40)(H,39,43)/t28-,29+/m0/s1
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n/an/a>3.00E+5n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173470
PNG
((R)-6-Amino-2-[(R)-3-(3,5-dibromo-4-hydroxy-phenyl...)
Show SMILES NCCCC[C@@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C33H40Br2N4O4/c34-26-20-25(21-27(35)31(26)41)22-29(38-30(40)16-9-14-23-10-3-1-4-11-23)33(43)39-28(15-7-8-18-36)32(42)37-19-17-24-12-5-2-6-13-24/h1-6,10-13,20-21,28-29,41H,7-9,14-19,22,36H2,(H,37,42)(H,38,40)(H,39,43)/t28-,29-/m1/s1
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n/an/a>3.00E+5n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173480
PNG
(CHEMBL196033 | N-{(S)-2-(4-Amino-3,5-dibromo-pheny...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(N)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C35H44Br2N6O3/c36-28-22-26(23-29(37)33(28)39)24-31(40-32(44)16-9-12-25-10-3-1-4-11-25)34(45)41-30(15-7-8-17-38)35(46)43-20-18-42(19-21-43)27-13-5-2-6-14-27/h1-6,10-11,13-14,22-23,30-31H,7-9,12,15-21,24,38-39H2,(H,40,44)(H,41,45)/t30-,31+/m1/s1
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n/an/a>3.00E+5n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173474
PNG
(CHEMBL197079 | N-{(S)-2-(4-Amino-3,5-dibromo-pheny...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(N)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)N1CCNCC1
Show InChI InChI=1S/C29H40Br2N6O3/c30-22-17-21(18-23(31)27(22)33)19-25(35-26(38)11-6-9-20-7-2-1-3-8-20)28(39)36-24(10-4-5-12-32)29(40)37-15-13-34-14-16-37/h1-3,7-8,17-18,24-25,34H,4-6,9-16,19,32-33H2,(H,35,38)(H,36,39)/t24-,25+/m1/s1
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n/an/a>3.00E+5n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173469
PNG
((S)-6-Amino-2-[(S)-3-(3,5-dibromo-4-hydroxy-phenyl...)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C33H40Br2N4O4/c34-26-20-25(21-27(35)31(26)41)22-29(38-30(40)16-9-14-23-10-3-1-4-11-23)33(43)39-28(15-7-8-18-36)32(42)37-19-17-24-12-5-2-6-13-24/h1-6,10-13,20-21,28-29,41H,7-9,14-19,22,36H2,(H,37,42)(H,38,40)(H,39,43)/t28-,29-/m0/s1
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n/an/a>3.00E+5n/an/an/an/a7.4n/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%