Found 17710 hits with Last Name = 'tu' and Initial = 'c' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50184069
(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 | PDB
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| 0.00500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50184069
(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 | PDB
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| 0.0140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50385312
(CHEMBL2035984)Show SMILES Fc1cc(cc(F)c1Cl)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C30H27ClF2N6O3/c31-25-20(32)9-16(10-21(25)33)23-14-36-30(5-1-2-6-30)28(42)39(23)15-24(40)37-18-8-17-11-29(12-22(17)35-13-18)19-4-3-7-34-26(19)38-27(29)41/h3-4,7-10,13,23,36H,1-2,5-6,11-12,14-15H2,(H,37,40)(H,34,38,41)/t23-,29-/m0/s1 | PDB
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| 0.0140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CALCRL/RAMP1 receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50385311
(CHEMBL2035985)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)c(Cl)c(F)c1 |r| Show InChI InChI=1S/C31H29ClF2N6O3/c1-29(18-10-21(33)25(32)22(34)11-18)16-37-31(6-2-3-7-31)28(43)40(29)15-24(41)38-19-9-17-12-30(13-23(17)36-14-19)20-5-4-8-35-26(20)39-27(30)42/h4-5,8-11,14,37H,2-3,6-7,12-13,15-16H2,1H3,(H,38,41)(H,35,39,42)/t29-,30-/m0/s1 | PDB
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| 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CALCRL/RAMP1 receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50440788
(CHEMBL2431249)Show SMILES CN1C[C@](C)(N(CC(=O)Nc2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H32F2N6O3/c1-30(20-11-21(33)13-22(34)12-20)18-39(2)32(7-3-4-8-32)29(43)40(30)17-26(41)37-23-10-19-14-31(15-25(19)36-16-23)24-6-5-9-35-27(24)38-28(31)42/h5-6,9-13,16H,3-4,7-8,14-15,17-18H2,1-2H3,(H,37,41)(H,35,38,42)/t30-,31-/m0/s1 | PDB
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| 0.0170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labortories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells |
ACS Med Chem Lett 4: 863-8 (2013)
Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50440782
(CHEMBL2431246)Show SMILES CN1C[C@](C)(N(CC#Cc2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C33H31F2N5O2/c1-31(23-14-24(34)16-25(35)15-23)20-39(2)33(9-3-4-10-33)30(42)40(31)12-6-7-21-13-22-17-32(18-27(22)37-19-21)26-8-5-11-36-28(26)38-29(32)41/h5,8,11,13-16,19H,3-4,9-10,12,17-18,20H2,1-2H3,(H,36,38,41)/t31-,32-/m0/s1 | PDB
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| 0.0190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labortories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells |
ACS Med Chem Lett 4: 863-8 (2013)
Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50356282
(CHEMBL1910936)Show SMILES Fc1cc(F)cc(c1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C31H29F2N5O3/c32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40/h3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40)/t25-,30+/m0/s1 | PDB
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Merck Research Labortories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells |
ACS Med Chem Lett 4: 863-8 (2013)
Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50440784
(CHEMBL2431253)Show SMILES CN1C[C@](C)(N(C\C=C\c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C33H33F2N5O2/c1-31(23-14-24(34)16-25(35)15-23)20-39(2)33(9-3-4-10-33)30(42)40(31)12-6-7-21-13-22-17-32(18-27(22)37-19-21)26-8-5-11-36-28(26)38-29(32)41/h5-8,11,13-16,19H,3-4,9-10,12,17-18,20H2,1-2H3,(H,36,38,41)/b7-6+/t31-,32-/m0/s1 | PDB
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| 0.0210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labortories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells |
ACS Med Chem Lett 4: 863-8 (2013)
Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50440791
(CHEMBL2431256)Show SMILES CN1C[C@H](N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C1(C)C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C30H29F2N5O3/c1-29(2)28(40)37(24(15-36(29)3)18-9-20(31)12-21(32)10-18)16-25(38)34-22-7-6-17-13-30(14-19(17)11-22)23-5-4-8-33-26(23)35-27(30)39/h4-12,24H,13-16H2,1-3H3,(H,34,38)(H,33,35,39)/t24-,30+/m0/s1 | PDB
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| 0.0220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labortories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells |
ACS Med Chem Lett 4: 863-8 (2013)
Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50356282
(CHEMBL1910936)Show SMILES Fc1cc(F)cc(c1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C31H29F2N5O3/c32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40/h3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40)/t25-,30+/m0/s1 | PDB
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| 0.0220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CALCRL/RAMP1 receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50315401
((R)-1-((2'-oxo-1',2',6,8-tetrahydrospiro[cyclopent...)Show SMILES O=C1Nc2ncccc2[C@]11Cc2cc3ccc(Cn4c5cccc6NC(=O)Cn(c56)c4=O)nc3cc2C1 |r| Show InChI InChI=1S/C28H20N6O3/c35-23-14-34-24-20(31-23)4-1-5-22(24)33(27(34)37)13-18-7-6-15-9-16-11-28(12-17(16)10-21(15)30-18)19-3-2-8-29-25(19)32-26(28)36/h1-10H,11-14H2,(H,31,35)(H,29,32,36)/t28-/m1/s1 | PDB
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| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1 |
Bioorg Med Chem Lett 20: 2572-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50385313
(CHEMBL2035982)Show SMILES Fc1cc(F)cc(c1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C30H28F2N6O3/c31-19-8-17(9-20(32)11-19)24-15-35-30(5-1-2-6-30)28(41)38(24)16-25(39)36-21-10-18-12-29(13-23(18)34-14-21)22-4-3-7-33-26(22)37-27(29)40/h3-4,7-11,14,24,35H,1-2,5-6,12-13,15-16H2,(H,36,39)(H,33,37,40)/t24-,29-/m0/s1 | PDB
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| 0.0280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CALCRL/RAMP1 receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50440793
(CHEMBL2431254)Show SMILES CC1(C)NC[C@H](N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C1=O)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C29H27F2N5O3/c1-28(2)27(39)36(23(14-33-28)17-8-19(30)11-20(31)9-17)15-24(37)34-21-6-5-16-12-29(13-18(16)10-21)22-4-3-7-32-25(22)35-26(29)38/h3-11,23,33H,12-15H2,1-2H3,(H,34,37)(H,32,35,38)/t23-,29+/m0/s1 | PDB
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| 0.0340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labortories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells |
ACS Med Chem Lett 4: 863-8 (2013)
Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50301971
(2-((S)-6-(2,6-difluorophenyl)-3,3-dimethyl-2-oxopi...)Show SMILES CC1(C)CC[C@H](N(CC(=O)Nc2ccc3C[C@@]4(Cc3c2)C(=O)Nc2ncccc42)C1=O)c1c(F)cccc1F |r| Show InChI InChI=1S/C30H28F2N4O3/c1-29(2)11-10-23(25-21(31)6-3-7-22(25)32)36(28(29)39)16-24(37)34-19-9-8-17-14-30(15-18(17)13-19)20-5-4-12-33-26(20)35-27(30)38/h3-9,12-13,23H,10-11,14-16H2,1-2H3,(H,34,37)(H,33,35,38)/t23-,30-/m0/s1 | PDB
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| 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 5787-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50444982
(CHEMBL3099918)Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C(C)(C)C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C30H30F2N4O2/c1-18(20-12-22(31)14-23(32)13-20)36(28(38)29(2,3)4)10-6-7-19-11-21-15-30(16-25(21)34-17-19)24-8-5-9-33-26(24)35-27(30)37/h5-9,11-14,17-18H,10,15-16H2,1-4H3,(H,33,35,37)/b7-6+/t18-,30+/m1/s1 | PDB
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| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 258-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.027
BindingDB Entry DOI: 10.7270/Q2DB8393 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50385314
(CHEMBL2035981)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H31F2N5O3/c1-30(21-12-22(33)14-23(34)13-21)18-36-32(8-2-3-9-32)29(42)39(30)17-26(40)37-24-7-6-19-15-31(16-20(19)11-24)25-5-4-10-35-27(25)38-28(31)41/h4-7,10-14,36H,2-3,8-9,15-18H2,1H3,(H,37,40)(H,35,38,41)/t30-,31+/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CALCRL/RAMP1 receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50254445
((S)-2-(2,5-dioxo-2,4,5,6-tetrahydro-1H-imidazo[1,5...)Show SMILES O=C(Cn1c2cccc3NC(=O)Cn(c23)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C26H20N6O4/c33-20(12-31-19-5-1-4-18-22(19)32(25(31)36)13-21(34)29-18)28-16-7-6-14-10-26(11-15(14)9-16)17-3-2-8-27-23(17)30-24(26)35/h1-9H,10-13H2,(H,28,33)(H,29,34)(H,27,30,35)/t26-/m0/s1 | PDB
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Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1 |
Bioorg Med Chem Lett 20: 2572-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50254445
((S)-2-(2,5-dioxo-2,4,5,6-tetrahydro-1H-imidazo[1,5...)Show SMILES O=C(Cn1c2cccc3NC(=O)Cn(c23)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C26H20N6O4/c33-20(12-31-19-5-1-4-18-22(19)32(25(31)36)13-21(34)29-18)28-16-7-6-14-10-26(11-15(14)9-16)17-3-2-8-27-23(17)30-24(26)35/h1-9H,10-13H2,(H,28,33)(H,29,34)(H,27,30,35)/t26-/m0/s1 | PDB
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Merck& Co
Curated by ChEMBL
| Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 |
Bioorg Med Chem Lett 19: 214-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50385314
(CHEMBL2035981)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H31F2N5O3/c1-30(21-12-22(33)14-23(34)13-21)18-36-32(8-2-3-9-32)29(42)39(30)17-26(40)37-24-7-6-19-15-31(16-20(19)11-24)25-5-4-10-35-27(25)38-28(31)41/h4-7,10-14,36H,2-3,8-9,15-18H2,1H3,(H,37,40)(H,35,38,41)/t30-,31+/m0/s1 | PDB
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Merck Research Labortories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells |
ACS Med Chem Lett 4: 863-8 (2013)
Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50440786
(CHEMBL2431251)Show SMILES CN1C[C@](C)(N(CCCc2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C33H35F2N5O2/c1-31(23-14-24(34)16-25(35)15-23)20-39(2)33(9-3-4-10-33)30(42)40(31)12-6-7-21-13-22-17-32(18-27(22)37-19-21)26-8-5-11-36-28(26)38-29(32)41/h5,8,11,13-16,19H,3-4,6-7,9-10,12,17-18,20H2,1-2H3,(H,36,38,41)/t31-,32-/m0/s1 | PDB
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Merck Research Labortories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells |
ACS Med Chem Lett 4: 863-8 (2013)
Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50440789
(CHEMBL2431248)Show SMILES CN1C[C@](C)(N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C33H33F2N5O3/c1-31(22-13-23(34)15-24(35)14-22)19-39(2)33(9-3-4-10-33)30(43)40(31)18-27(41)37-25-8-7-20-16-32(17-21(20)12-25)26-6-5-11-36-28(26)38-29(32)42/h5-8,11-15H,3-4,9-10,16-19H2,1-2H3,(H,37,41)(H,36,38,42)/t31-,32+/m0/s1 | PDB
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Merck Research Labortories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells |
ACS Med Chem Lett 4: 863-8 (2013)
Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50385309
(CHEMBL2035983)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H30F2N6O3/c1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41)/t29-,30-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CALCRL/RAMP1 receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50444972
(CHEMBL3099931)Show SMILES CC(C)(C)C(=O)N(CC#Cc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C31H30N4O2/c1-30(2,3)29(37)35(26-13-12-21-9-4-5-10-23(21)26)15-7-8-20-16-22-17-31(18-25(22)33-19-20)24-11-6-14-32-27(24)34-28(31)36/h4-6,9-11,14,16,19,26H,12-13,15,17-18H2,1-3H3,(H,32,34,36)/t26-,31+/m1/s1 | PDB
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| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 258-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.027
BindingDB Entry DOI: 10.7270/Q2DB8393 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM103499
(US8552023, 11)Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C1(CC1)C(F)(F)F)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C30H25F5N4O2/c1-17(19-11-21(31)13-22(32)12-19)39(27(41)29(6-7-29)30(33,34)35)9-3-4-18-10-20-14-28(15-24(20)37-16-18)23-5-2-8-36-25(23)38-26(28)40/h2-5,8,10-13,16-17H,6-7,9,14-15H2,1H3,(H,36,38,40)/b4-3+/t17-,28+/m1/s1 | PDB
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Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 258-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.027
BindingDB Entry DOI: 10.7270/Q2DB8393 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50385309
(CHEMBL2035983)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H30F2N6O3/c1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41)/t29-,30-/m0/s1 | PDB
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| 0.0520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50440790
(CHEMBL2431247)Show SMILES CN1C[C@](C)(N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C1(C)C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H31F2N5O3/c1-29(2)28(41)38(30(3,17-37(29)4)20-11-21(32)13-22(33)12-20)16-25(39)35-23-8-7-18-14-31(15-19(18)10-23)24-6-5-9-34-26(24)36-27(31)40/h5-13H,14-17H2,1-4H3,(H,35,39)(H,34,36,40)/t30-,31+/m0/s1 | PDB
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| 0.0560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labortories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells |
ACS Med Chem Lett 4: 863-8 (2013)
Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM100865
(US8507477, 5)Show SMILES CC(C)N1C(=O)N(Cc2cnc3cc4C[C@]5(Cc4cc3c2)C(=O)Nc2ncccc52)C2(CCCc3ccccc23)C1=O |r| Show InChI InChI=1S/C34H31N5O3/c1-20(2)39-31(41)34(11-5-8-22-7-3-4-9-26(22)34)38(32(39)42)19-21-13-23-14-24-16-33(17-25(24)15-28(23)36-18-21)27-10-6-12-35-29(27)37-30(33)40/h3-4,6-7,9-10,12-15,18,20H,5,8,11,16-17,19H2,1-2H3,(H,35,37,40)/t33-,34?/m0/s1 | PDB
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| 0.0570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp & Dohme, Corp.
US Patent
| Assay Description
Receptor binding assay. |
US Patent US8507477 (2013)
BindingDB Entry DOI: 10.7270/Q20000Q1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM100872
(US8507477, 13)Show SMILES CN1C[C@](C)(N(Cc2cnc3cc4C[C@]5(Cc4cc3c2)C(=O)Nc2ncccc52)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C35H33F2N5O2/c1-33(25-13-26(36)15-27(37)14-25)20-41(2)35(7-3-4-8-35)32(44)42(33)19-21-10-22-11-23-16-34(17-24(23)12-29(22)39-18-21)28-6-5-9-38-30(28)40-31(34)43/h5-6,9-15,18H,3-4,7-8,16-17,19-20H2,1-2H3,(H,38,40,43)/t33-,34-/m0/s1 | PDB
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Merck, Sharp & Dohme, Corp.
US Patent
| Assay Description
Receptor binding assay. |
US Patent US8507477 (2013)
BindingDB Entry DOI: 10.7270/Q20000Q1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50315409
(2a-ethyl-1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[...)Show SMILES CCC12CN(Cc3ccc4cc5C[C@]6(Cc5cc4n3)C(=O)Nc3ncccc63)c3cccc(NC(=O)C1)c23 |r| Show InChI InChI=1S/C31H27N5O2/c1-2-30-15-26(37)34-23-6-3-7-25(27(23)30)36(17-30)16-21-9-8-18-11-19-13-31(14-20(19)12-24(18)33-21)22-5-4-10-32-28(22)35-29(31)38/h3-12H,2,13-17H2,1H3,(H,34,37)(H,32,35,38)/t30?,31-/m1/s1 | PDB
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| 0.0720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1 |
Bioorg Med Chem Lett 20: 2572-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50444980
(CHEMBL3099920)Show SMILES CC(C)(C)C(=O)N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C31H32N4O2/c1-30(2,3)29(37)35(26-13-12-21-9-4-5-10-23(21)26)15-7-8-20-16-22-17-31(18-25(22)33-19-20)24-11-6-14-32-27(24)34-28(31)36/h4-11,14,16,19,26H,12-13,15,17-18H2,1-3H3,(H,32,34,36)/b8-7+/t26-,31+/m1/s1 | PDB
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| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 258-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.027
BindingDB Entry DOI: 10.7270/Q2DB8393 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50444984
(CHEMBL3099916)Show SMILES C[C@@H](N(C\C=C\c1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C1CCOCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H31F2N3O3/c1-20(24-15-26(33)17-27(34)16-24)37(30(38)22-8-12-40-13-9-22)11-3-4-21-6-7-23-18-32(19-25(23)14-21)28-5-2-10-35-29(28)36-31(32)39/h2-7,10,14-17,20,22H,8-9,11-13,18-19H2,1H3,(H,35,36,39)/b4-3+/t20-,32-/m1/s1 | PDB
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| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 258-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.027
BindingDB Entry DOI: 10.7270/Q2DB8393 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50440785
(CHEMBL2431252)Show SMILES CN1C[C@](C)(N(C\C=C\c2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C34H34F2N4O2/c1-32(25-16-26(35)18-27(36)17-25)21-39(2)34(11-3-4-12-34)31(42)40(32)14-6-7-22-9-10-23-19-33(20-24(23)15-22)28-8-5-13-37-29(28)38-30(33)41/h5-10,13,15-18H,3-4,11-12,14,19-21H2,1-2H3,(H,37,38,41)/b7-6+/t32-,33+/m0/s1 | PDB
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PubMed
| 0.0940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labortories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells |
ACS Med Chem Lett 4: 863-8 (2013)
Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50243232
(CHEMBL486232 | GNF-PF-5434 | N-((S)-4-methyl-1-oxo...)Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:27.29| Show InChI InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/t24-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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PubMed
| <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem 17: 1064-70 (2009)
Article DOI: 10.1016/j.bmc.2008.02.002
BindingDB Entry DOI: 10.7270/Q20R9P6K |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50335985
(CHEMBL1669013 | N-(1-(4-(4,9-diethoxy-1-oxo-1H-ben...)Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1C Show InChI InChI=1S/C35H37N3O6S/c1-5-43-31-26-9-7-8-10-27(26)32(44-6-2)30-28(31)21-38(33(30)39)29-16-13-24(19-23(29)4)20-35(17-18-35)36-34(40)37-45(41,42)25-14-11-22(3)12-15-25/h7-16,19H,5-6,17-18,20-21H2,1-4H3,(H2,36,37,40) | PDB
Reactome pathway
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PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay |
Bioorg Med Chem Lett 21: 1041-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50440792
(CHEMBL2431255)Show SMILES CC1(C)NC[C@](C)(N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C1=O)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C30H29F2N5O3/c1-28(2)27(40)37(29(3,16-34-28)19-10-20(31)12-21(32)11-19)15-24(38)35-22-7-6-17-13-30(14-18(17)9-22)23-5-4-8-33-25(23)36-26(30)39/h4-12,34H,13-16H2,1-3H3,(H,35,38)(H,33,36,39)/t29-,30+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labortories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells |
ACS Med Chem Lett 4: 863-8 (2013)
Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50440783
(CHEMBL2429882)Show SMILES CN1C[C@](C)(N(CC#Cc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C34H32F2N4O2/c1-32(25-16-26(35)18-27(36)17-25)21-39(2)34(11-3-4-12-34)31(42)40(32)14-6-7-22-9-10-23-19-33(20-24(23)15-22)28-8-5-13-37-29(28)38-30(33)41/h5,8-10,13,15-18H,3-4,11-12,14,19-21H2,1-2H3,(H,37,38,41)/t32-,33+/m0/s1 | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labortories
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells |
ACS Med Chem Lett 4: 863-8 (2013)
Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50315407
(2a-methyl-1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro...)Show SMILES CC12CN(Cc3ccc4cc5C[C@]6(Cc5cc4n3)C(=O)Nc3ncccc63)c3cccc(NC(=O)C1)c23 |r| Show InChI InChI=1S/C30H25N5O2/c1-29-14-25(36)33-22-5-2-6-24(26(22)29)35(16-29)15-20-8-7-17-10-18-12-30(13-19(18)11-23(17)32-20)21-4-3-9-31-27(21)34-28(30)37/h2-11H,12-16H2,1H3,(H,33,36)(H,31,34,37)/t29?,30-/m1/s1 | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1 |
Bioorg Med Chem Lett 20: 2572-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50444971
(CHEMBL3099932)Show SMILES C[C@@H](N(CC#Cc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C30H30N4O2/c1-20(22-11-6-5-7-12-22)34(28(36)29(2,3)4)15-9-10-21-16-23-17-30(18-25(23)32-19-21)24-13-8-14-31-26(24)33-27(30)35/h5-8,11-14,16,19-20H,15,17-18H2,1-4H3,(H,31,33,35)/t20-,30+/m1/s1 | PDB
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 258-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.027
BindingDB Entry DOI: 10.7270/Q2DB8393 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM103501
(US8552023, 13)Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C(C)(C)C)c1ccc(C)c(F)c1 |r| Show InChI InChI=1S/C31H33FN4O2/c1-19-10-11-22(15-25(19)32)20(2)36(29(38)30(3,4)5)13-7-8-21-14-23-16-31(17-26(23)34-18-21)24-9-6-12-33-27(24)35-28(31)37/h6-12,14-15,18,20H,13,16-17H2,1-5H3,(H,33,35,37)/b8-7+/t20-,31+/m1/s1 | PDB
KEGG
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| PC cid
PC sid
UniChem
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| Article
PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 258-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.027
BindingDB Entry DOI: 10.7270/Q2DB8393 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50301969
(2a-(aminomethyl)-1-(((S)-2'-oxo-1',2',6,8-tetrahyd...)Show SMILES NCC12CC(=O)Nc3cccc(N(Cc4ccc5cc6C[C@@]7(Cc6cc5n4)C(=O)Nc4ncccc74)C1=O)c23 |r| Show InChI InChI=1S/C30H24N6O3/c31-15-30-13-24(37)34-21-4-1-5-23(25(21)30)36(28(30)39)14-19-7-6-16-9-17-11-29(12-18(17)10-22(16)33-19)20-3-2-8-32-26(20)35-27(29)38/h1-10H,11-15,31H2,(H,34,37)(H,32,35,38)/t29-,30?/m0/s1 | PDB
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PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 5787-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.134
BindingDB Entry DOI: 10.7270/Q2PG1RTW |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50444976
(CHEMBL3099926)Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)c1sccc1C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H26F2N4O2S/c1-18-7-10-40-27(18)29(38)37(19(2)21-12-23(32)14-24(33)13-21)9-4-5-20-11-22-15-31(16-26(22)35-17-20)25-6-3-8-34-28(25)36-30(31)39/h3-8,10-14,17,19H,9,15-16H2,1-2H3,(H,34,36,39)/b5-4+/t19-,31+/m1/s1 | PDB
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 258-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.027
BindingDB Entry DOI: 10.7270/Q2DB8393 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM100867
(US8507477, 8)Show SMILES Fc1cc(F)cc(c1)[C@@H]1CNC2(CCCC2)C(=O)N1Cc1cnc2cc3C[C@]4(Cc3cc2c1)C(=O)Nc1ncccc41 |r| Show InChI InChI=1S/C33H29F2N5O2/c34-24-10-21(11-25(35)13-24)28-17-38-33(5-1-2-6-33)31(42)40(28)18-19-8-20-9-22-14-32(15-23(22)12-27(20)37-16-19)26-4-3-7-36-29(26)39-30(32)41/h3-4,7-13,16,28,38H,1-2,5-6,14-15,17-18H2,(H,36,39,41)/t28-,32-/m0/s1 | PDB
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| US Patent
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp & Dohme, Corp.
US Patent
| Assay Description
Receptor binding assay. |
US Patent US8507477 (2013)
BindingDB Entry DOI: 10.7270/Q20000Q1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50444975
(CHEMBL3099927)Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)c1nccn1C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C30H26F2N6O2/c1-18(20-12-22(31)14-23(32)13-20)38(28(39)27-34-8-10-37(27)2)9-4-5-19-11-21-15-30(16-25(21)35-17-19)24-6-3-7-33-26(24)36-29(30)40/h3-8,10-14,17-18H,9,15-16H2,1-2H3,(H,33,36,40)/b5-4+/t18-,30+/m1/s1 | PDB
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 258-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.027
BindingDB Entry DOI: 10.7270/Q2DB8393 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50444987
(CHEMBL3099939)Show SMILES C[C@@H](N(C\C=C\c1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C(C)(C)C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H31F2N3O2/c1-19(22-14-24(32)16-25(33)15-22)36(29(38)30(2,3)4)12-6-7-20-9-10-21-17-31(18-23(21)13-20)26-8-5-11-34-27(26)35-28(31)37/h5-11,13-16,19H,12,17-18H2,1-4H3,(H,34,35,37)/b7-6+/t19-,31-/m1/s1 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 258-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.027
BindingDB Entry DOI: 10.7270/Q2DB8393 |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50335986
(2-chloro-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[f]is...)Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccccc2Cl)cc1C Show InChI InChI=1S/C34H34ClN3O6S/c1-4-43-30-23-10-6-7-11-24(23)31(44-5-2)29-25(30)20-38(32(29)39)27-15-14-22(18-21(27)3)19-34(16-17-34)36-33(40)37-45(41,42)28-13-9-8-12-26(28)35/h6-15,18H,4-5,16-17,19-20H2,1-3H3,(H2,36,37,40) | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
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| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay |
Bioorg Med Chem Lett 21: 1041-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50335980
(CHEMBL1669017 | N-(1-(4-(4,9-diethoxy-1-oxo-1H-ben...)Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)Cc2ncccc2OC)cc1C Show InChI InChI=1S/C35H37N3O5/c1-5-42-32-24-10-7-8-11-25(24)33(43-6-2)31-26(32)21-38(34(31)40)28-14-13-23(18-22(28)3)20-35(15-16-35)37-30(39)19-27-29(41-4)12-9-17-36-27/h7-14,17-18H,5-6,15-16,19-21H2,1-4H3,(H,37,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay |
Bioorg Med Chem Lett 21: 1041-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50335989
(CHEMBL1669009 | N-(1-(4-(4,9-diethoxy-1-oxo-1H-ben...)Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccccc2OC)cc1C Show InChI InChI=1S/C35H37N3O7S/c1-5-44-31-24-11-7-8-12-25(24)32(45-6-2)30-26(31)21-38(33(30)39)27-16-15-23(19-22(27)3)20-35(17-18-35)36-34(40)37-46(41,42)29-14-10-9-13-28(29)43-4/h7-16,19H,5-6,17-18,20-21H2,1-4H3,(H2,36,37,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay |
Bioorg Med Chem Lett 21: 1041-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50335981
(3-(2-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[f]isoindol...)Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)Cc2cc(ccc2OC)C(O)=O)cc1C Show InChI InChI=1S/C37H38N2O7/c1-5-45-33-26-9-7-8-10-27(26)34(46-6-2)32-28(33)21-39(35(32)41)29-13-11-23(17-22(29)3)20-37(15-16-37)38-31(40)19-25-18-24(36(42)43)12-14-30(25)44-4/h7-14,17-18H,5-6,15-16,19-21H2,1-4H3,(H,38,40)(H,42,43) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay |
Bioorg Med Chem Lett 21: 1041-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50444986
(CHEMBL3099914)Show SMILES CC(C)(C)C(=O)N(C\C=C\c1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C32H33N3O2/c1-31(2,3)30(37)35(27-15-14-22-9-4-5-10-25(22)27)17-7-8-21-12-13-23-19-32(20-24(23)18-21)26-11-6-16-33-28(26)34-29(32)36/h4-13,16,18,27H,14-15,17,19-20H2,1-3H3,(H,33,34,36)/b8-7+/t27-,32-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 258-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.027
BindingDB Entry DOI: 10.7270/Q2DB8393 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50444974
(CHEMBL3099929)Show SMILES CC(C)(C)C(=O)N(CC#Cc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C32H31N3O2/c1-31(2,3)30(37)35(27-15-14-22-9-4-5-10-25(22)27)17-7-8-21-12-13-23-19-32(20-24(23)18-21)26-11-6-16-33-28(26)34-29(32)36/h4-6,9-13,16,18,27H,14-15,17,19-20H2,1-3H3,(H,33,34,36)/t27-,32-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 258-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.027
BindingDB Entry DOI: 10.7270/Q2DB8393 |
More data for this
Ligand-Target Pair | |
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