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Compile Data Set for Download or QSAR

Found 445 hits with Last Name = 'nguyen' and Initial = 'dn'   
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/Receptor activity-modifying protein 1


(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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0.00500n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells


Bioorg Med Chem Lett 16: 2595-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342639
PNG
(CHEMBL1770729 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES CC1(CCCO1)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc21
Show InChI InChI=1S/C31H34F2N6O4/c1-30(10-4-16-42-30)24-17-35-27-23(9-8-19(18-39(24)27)20-5-2-7-22(32)25(20)33)36-28(40)38-14-11-31(12-15-38)21-6-3-13-34-26(21)37-29(41)43-31/h2-3,5-7,13,17,19,23H,4,8-12,14-16,18H2,1H3,(H,36,40)(H,34,37,41)/t19-,23-,30?/m1/s1
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0.0360n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342638
PNG
(CHEMBL1770728 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES CCC(CC)(OC)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc21
Show InChI InChI=1S/C32H38F2N6O4/c1-4-31(5-2,43-3)25-18-36-28-24(12-11-20(19-40(25)28)21-8-6-10-23(33)26(21)34)37-29(41)39-16-13-32(14-17-39)22-9-7-15-35-27(22)38-30(42)44-32/h6-10,15,18,20,24H,4-5,11-14,16-17,19H2,1-3H3,(H,37,41)(H,35,38,42)/t20-,24-/m1/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]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342625
PNG
(CHEMBL1770715 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES COC(C)(C)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C30H35F2N7O3/c1-30(2,42-3)24-16-34-27-22(10-9-18(17-38(24)27)20-6-4-7-21(31)25(20)32)35-28(40)37-14-11-19(12-15-37)39-23-8-5-13-33-26(23)36-29(39)41/h4-8,13,16,18-19,22H,9-12,14-15,17H2,1-3H3,(H,35,40)(H,33,36,41)/t18-,22-/m1/s1
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0.0400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342636
PNG
(CHEMBL1770726 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES CCOC(C)(C)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc21
Show InChI InChI=1S/C31H36F2N6O4/c1-4-42-30(2,3)24-17-35-27-23(11-10-19(18-39(24)27)20-7-5-9-22(32)25(20)33)36-28(40)38-15-12-31(13-16-38)21-8-6-14-34-26(21)37-29(41)43-31/h5-9,14,17,19,23H,4,10-13,15-16,18H2,1-3H3,(H,36,40)(H,34,37,41)/t19-,23-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342634
PNG
(CHEMBL1770724 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES COC(C)(C)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc21
Show InChI InChI=1S/C30H34F2N6O4/c1-29(2,41-3)23-16-34-26-22(10-9-18(17-38(23)26)19-6-4-8-21(31)24(19)32)35-27(39)37-14-11-30(12-15-37)20-7-5-13-33-25(20)36-28(40)42-30/h4-8,13,16,18,22H,9-12,14-15,17H2,1-3H3,(H,35,39)(H,33,36,40)/t18-,22-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342630
PNG
(CHEMBL1770720 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)OC(=O)Nc3ncccc43)c3ncc(CC(F)(F)F)n3C2)c1F
Show InChI InChI=1S/C28H27F5N6O3/c29-20-5-1-3-18(22(20)30)16-6-7-21(24-35-14-17(39(24)15-16)13-28(31,32)33)36-25(40)38-11-8-27(9-12-38)19-4-2-10-34-23(19)37-26(41)42-27/h1-5,10,14,16,21H,6-9,11-13,15H2,(H,36,40)(H,34,37,41)/t16-,21-/m1/s1
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0.0700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342633
PNG
(CHEMBL1770723 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES COCc1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc21
Show InChI InChI=1S/C28H30F2N6O4/c1-39-16-18-14-32-25-22(8-7-17(15-36(18)25)19-4-2-6-21(29)23(19)30)33-26(37)35-12-9-28(10-13-35)20-5-3-11-31-24(20)34-27(38)40-28/h2-6,11,14,17,22H,7-10,12-13,15-16H2,1H3,(H,33,37)(H,31,34,38)/t17-,22-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342612
PNG
(CHEMBL1770557 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3ncc(CC(F)(F)F)n3C2)c1F
Show InChI InChI=1S/C28H28F5N7O2/c29-20-4-1-3-19(23(20)30)16-6-7-21(25-35-14-18(39(25)15-16)13-28(31,32)33)36-26(41)38-11-8-17(9-12-38)40-22-5-2-10-34-24(22)37-27(40)42/h1-5,10,14,16-17,21H,6-9,11-13,15H2,(H,36,41)(H,34,37,42)/t16-,21-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342637
PNG
(CHEMBL1770727 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES CC(C)(OCC(F)(F)F)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc21
Show InChI InChI=1S/C31H33F5N6O4/c1-29(2,45-17-31(34,35)36)23-15-38-26-22(9-8-18(16-42(23)26)19-5-3-7-21(32)24(19)33)39-27(43)41-13-10-30(11-14-41)20-6-4-12-37-25(20)40-28(44)46-30/h3-7,12,15,18,22H,8-11,13-14,16-17H2,1-2H3,(H,39,43)(H,37,40,44)/t18-,22-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342632
PNG
(CHEMBL1770722 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)OC(=O)Nc3ncccc43)c3nnc(CC(F)(F)F)n3C2)c1F
Show InChI InChI=1S/C27H26F5N7O3/c28-18-5-1-3-16(21(18)29)15-6-7-19(23-37-36-20(39(23)14-15)13-27(30,31)32)34-24(40)38-11-8-26(9-12-38)17-4-2-10-33-22(17)35-25(41)42-26/h1-5,10,15,19H,6-9,11-14H2,(H,34,40)(H,33,35,41)/t15-,19-/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]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
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))
BDBM50342635
PNG
(CHEMBL1770725 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES CC(C)(O)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc21
Show InChI InChI=1S/C29H32F2N6O4/c1-28(2,40)22-15-33-25-21(9-8-17(16-37(22)25)18-5-3-7-20(30)23(18)31)34-26(38)36-13-10-29(11-14-36)19-6-4-12-32-24(19)35-27(39)41-29/h3-7,12,15,17,21,40H,8-11,13-14,16H2,1-2H3,(H,34,38)(H,32,35,39)/t17-,21-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
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))
BDBM50342624
PNG
(CHEMBL1770714 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES COCc1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C28H31F2N7O3/c1-40-16-19-14-32-26-22(8-7-17(15-36(19)26)20-4-2-5-21(29)24(20)30)33-27(38)35-12-9-18(10-13-35)37-23-6-3-11-31-25(23)34-28(37)39/h2-6,11,14,17-18,22H,7-10,12-13,15-16H2,1H3,(H,33,38)(H,31,34,39)/t17-,22-/m1/s1
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0.380n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342629
PNG
(CHEMBL1770719 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES COC(C)(C)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)C(=O)Nc1ncccc21
Show InChI InChI=1S/C30H34F2N6O3/c1-29(2,41-3)23-16-34-26-22(10-9-18(17-38(23)26)19-6-4-8-21(31)24(19)32)35-28(40)37-14-11-30(12-15-37)20-7-5-13-33-25(20)36-27(30)39/h4-8,13,16,18,22H,9-12,14-15,17H2,1-3H3,(H,35,40)(H,33,36,39)/t18-,22-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342631
PNG
(CHEMBL1770721 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)C(=O)Nc3ncccc43)c3nnc(CC(F)(F)F)n3C2)c1F
Show InChI InChI=1S/C27H26F5N7O2/c28-18-5-1-3-16(21(18)29)15-6-7-19(23-37-36-20(39(23)14-15)13-27(30,31)32)34-25(41)38-11-8-26(9-12-38)17-4-2-10-33-22(17)35-24(26)40/h1-5,10,15,19H,6-9,11-14H2,(H,34,41)(H,33,35,40)/t15-,19-/m1/s1
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0.480n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
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))
BDBM50342626
PNG
(CHEMBL1770716 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)C(=O)Nc3ncccc43)c3ncc(CC(F)(F)F)n3C2)c1F
Show InChI InChI=1S/C28H27F5N6O2/c29-20-5-1-3-18(22(20)30)16-6-7-21(24-35-14-17(39(24)15-16)13-28(31,32)33)36-26(41)38-11-8-27(9-12-38)19-4-2-10-34-23(19)37-25(27)40/h1-5,10,14,16,21H,6-9,11-13,15H2,(H,36,41)(H,34,37,40)/t16-,21-/m1/s1
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0.610n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342628
PNG
(CHEMBL1770718 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES COCc1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)C(=O)Nc1ncccc21
Show InChI InChI=1S/C28H30F2N6O3/c1-39-16-18-14-32-25-22(8-7-17(15-36(18)25)19-4-2-6-21(29)23(19)30)33-27(38)35-12-9-28(10-13-35)20-5-3-11-31-24(20)34-26(28)37/h2-6,11,14,17,22H,7-10,12-13,15-16H2,1H3,(H,33,38)(H,31,34,37)/t17-,22-/m1/s1
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0.620n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342627
PNG
(CHEMBL1770717 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)C(=O)Nc3ncccc43)c3ncc(n3C2)C2(CC2)C(F)(F)F)c1F
Show InChI InChI=1S/C30H29F5N6O2/c31-20-5-1-3-18(23(20)32)17-6-7-21(25-37-15-22(41(25)16-17)29(8-9-29)30(33,34)35)38-27(43)40-13-10-28(11-14-40)19-4-2-12-36-24(19)39-26(28)42/h1-5,12,15,17,21H,6-11,13-14,16H2,(H,38,43)(H,36,39,42)/t17-,21-/m1/s1
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0.630n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342623
PNG
(CHEMBL1770568 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES CC(C)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C29H33F2N7O2/c1-17(2)24-15-33-27-22(9-8-18(16-37(24)27)20-5-3-6-21(30)25(20)31)34-28(39)36-13-10-19(11-14-36)38-23-7-4-12-32-26(23)35-29(38)40/h3-7,12,15,17-19,22H,8-11,13-14,16H2,1-2H3,(H,34,39)(H,32,35,40)/t18-,22-/m1/s1
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0.690n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
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]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
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))
BDBM50342611
PNG
(CHEMBL1770556 | N-((6S,9R)-3-cyclopropyl-6-(2,3-di...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3nnc(C4CC4)n3C2)c1F
Show InChI InChI=1S/C28H30F2N8O2/c29-20-4-1-3-19(23(20)30)17-8-9-21(26-35-34-25(16-6-7-16)37(26)15-17)32-27(39)36-13-10-18(11-14-36)38-22-5-2-12-31-24(22)33-28(38)40/h1-5,12,16-18,21H,6-11,13-15H2,(H,32,39)(H,31,33,40)/t17-,21-/m1/s1
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1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50192553
PNG
((R)-4-(4-(3-methoxyphenyl)-2-oxo-2,3-dihydroimidaz...)
Show SMILES COc1cccc(c1)-c1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1
Show InChI InChI=1S/C33H31F3N6O4/c1-46-24-11-7-10-22(18-24)26-19-41(32(45)37-26)23-14-16-40(17-15-23)31(44)39-29-30(43)42(20-33(34,35)36)27-13-6-5-12-25(27)28(38-29)21-8-3-2-4-9-21/h2-13,18-19,23,29H,14-17,20H2,1H3,(H,37,45)(H,39,44)/t29-/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]CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 16: 5052-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342622
PNG
(CHEMBL1770567 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3ncc(-c4nccs4)n3C2)c1F
Show InChI InChI=1S/C29H28F2N8O2S/c30-20-4-1-3-19(24(20)31)17-6-7-21(26-34-15-23(38(26)16-17)27-33-11-14-42-27)35-28(40)37-12-8-18(9-13-37)39-22-5-2-10-32-25(22)36-29(39)41/h1-5,10-11,14-15,17-18,21H,6-9,12-13,16H2,(H,35,40)(H,32,36,41)/t17-,21-/m1/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]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342621
PNG
(CHEMBL1770566 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3ncc(-c4ccccc4)n3C2)c1F
Show InChI InChI=1S/C32H31F2N7O2/c33-24-9-4-8-23(28(24)34)21-11-12-25(30-36-18-27(40(30)19-21)20-6-2-1-3-7-20)37-31(42)39-16-13-22(14-17-39)41-26-10-5-15-35-29(26)38-32(41)43/h1-10,15,18,21-22,25H,11-14,16-17,19H2,(H,37,42)(H,35,38,43)/t21-,25-/m1/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]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
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))
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))
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/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50217493
PNG
(CHEMBL235237 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...)
Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C31H37N5O3/c37-29-27(14-13-25(23-7-3-1-4-8-23)20-35(29)19-22-11-12-22)32-30(38)34-17-15-26(16-18-34)36-21-28(33-31(36)39)24-9-5-2-6-10-24/h1-10,21-22,25-27H,11-20H2,(H,32,38)(H,33,39)/t25-,27-/m1/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes


Bioorg Med Chem Lett 17: 4795-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342617
PNG
(CHEMBL1770562 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES Cc1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C27H29F2N7O2/c1-16-14-31-25-21(8-7-17(15-35(16)25)19-4-2-5-20(28)23(19)29)32-26(37)34-12-9-18(10-13-34)36-22-6-3-11-30-24(22)33-27(36)38/h2-6,11,14,17-18,21H,7-10,12-13,15H2,1H3,(H,32,37)(H,30,33,38)/t17-,21-/m1/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]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
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))
BDBM50342618
PNG
(CHEMBL1770563 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES OCc1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C27H29F2N7O3/c28-20-4-1-3-19(23(20)29)16-6-7-21(25-31-13-18(15-37)35(25)14-16)32-26(38)34-11-8-17(9-12-34)36-22-5-2-10-30-24(22)33-27(36)39/h1-5,10,13,16-17,21,37H,6-9,11-12,14-15H2,(H,32,38)(H,30,33,39)/t16-,21-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
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))
BDBM50342620
PNG
((6S,9R)-6-(2,3-difluorophenyl)-N,N-dimethyl-9-(4-(...)
Show SMILES CN(C)C(=O)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C29H32F2N8O3/c1-36(2)27(40)23-15-33-26-21(9-8-17(16-38(23)26)19-5-3-6-20(30)24(19)31)34-28(41)37-13-10-18(11-14-37)39-22-7-4-12-32-25(22)35-29(39)42/h3-7,12,15,17-18,21H,8-11,13-14,16H2,1-2H3,(H,34,41)(H,32,35,42)/t17-,21-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342613
PNG
(CHEMBL1770558 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3nccn3C2)c1F
Show InChI InChI=1S/C26H27F2N7O2/c27-19-4-1-3-18(22(19)28)16-6-7-20(24-30-11-14-34(24)15-16)31-25(36)33-12-8-17(9-13-33)35-21-5-2-10-29-23(21)32-26(35)37/h1-5,10-11,14,16-17,20H,6-9,12-13,15H2,(H,31,36)(H,29,32,37)/t16-,20-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342615
PNG
(CHEMBL1770560 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES OCc1cn2C[C@@H](CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c2n1)c1cccc(F)c1F
Show InChI InChI=1S/C27H29F2N7O3/c28-20-4-1-3-19(23(20)29)16-6-7-21(25-31-17(15-37)14-35(25)13-16)32-26(38)34-11-8-18(9-12-34)36-22-5-2-10-30-24(22)33-27(36)39/h1-5,10,14,16,18,21,37H,6-9,11-13,15H2,(H,32,38)(H,30,33,39)/t16-,21-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
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))
BDBM50342614
PNG
(CHEMBL1770559 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3nc(CC(F)(F)F)cn3C2)c1F
Show InChI InChI=1S/C28H28F5N7O2/c29-20-4-1-3-19(23(20)30)16-6-7-21(25-35-17(13-28(31,32)33)15-39(25)14-16)36-26(41)38-11-8-18(9-12-38)40-22-5-2-10-34-24(22)37-27(40)42/h1-5,10,15-16,18,21H,6-9,11-14H2,(H,36,41)(H,34,37,42)/t16-,21-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342616
PNG
(CHEMBL1770561 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES Cc1cn2C[C@@H](CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c2n1)c1cccc(F)c1F
Show InChI InChI=1S/C27H29F2N7O2/c1-16-14-35-15-17(19-4-2-5-20(28)23(19)29)7-8-21(25(35)31-16)32-26(37)34-12-9-18(10-13-34)36-22-6-3-11-30-24(22)33-27(36)38/h2-6,11,14,17-18,21H,7-10,12-13,15H2,1H3,(H,32,37)(H,30,33,38)/t17-,21-/m1/s1
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4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
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))
BDBM50342619
PNG
(CHEMBL1770564 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES CNCCc1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C29H34F2N8O2/c1-32-13-9-20-16-34-27-23(8-7-18(17-38(20)27)21-4-2-5-22(30)25(21)31)35-28(40)37-14-10-19(11-15-37)39-24-6-3-12-33-26(24)36-29(39)41/h2-6,12,16,18-19,23,32H,7-11,13-15,17H2,1H3,(H,35,40)(H,33,36,41)/t18-,23-/m1/s1
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5.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50192539
PNG
((R)-4-(2-oxo-4-p-tolyl-2,3-dihydroimidazol-1-yl)-N...)
Show SMILES Cc1ccc(cc1)-c1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1
Show InChI InChI=1S/C33H31F3N6O3/c1-21-11-13-22(14-12-21)26-19-41(32(45)37-26)24-15-17-40(18-16-24)31(44)39-29-30(43)42(20-33(34,35)36)27-10-6-5-9-25(27)28(38-29)23-7-3-2-4-8-23/h2-14,19,24,29H,15-18,20H2,1H3,(H,37,45)(H,39,44)/t29-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5052-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX
More data for this
Ligand-Target Pair
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