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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'norton' and Initial = 'br'   
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))
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 |t:23|
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))
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 |t:22|
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
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50192542
PNG
((R)-4-(4-(4-fluorophenyl)-2-oxo-2,3-dihydroimidazo...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |t:22|
Show InChI InChI=1S/C32H28F4N6O3/c33-22-12-10-20(11-13-22)25-18-41(31(45)37-25)23-14-16-40(17-15-23)30(44)39-28-29(43)42(19-32(34,35)36)26-9-5-4-8-24(26)27(38-28)21-6-2-1-3-7-21/h1-13,18,23,28H,14-17,19H2,(H,37,45)(H,39,44)/t28-/m0/s1
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]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))
BDBM50192551
PNG
((R)-4-(4-(3-fluorophenyl)-2-oxo-2,3-dihydroimidazo...)
Show SMILES Fc1cccc(c1)-c1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |t:22|
Show InChI InChI=1S/C32H28F4N6O3/c33-22-10-6-9-21(17-22)25-18-41(31(45)37-25)23-13-15-40(16-14-23)30(44)39-28-29(43)42(19-32(34,35)36)26-12-5-4-11-24(26)27(38-28)20-7-2-1-3-8-20/h1-12,17-18,23,28H,13-16,19H2,(H,37,45)(H,39,44)/t28-/m0/s1
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]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))
BDBM50192564
PNG
((R)-4-(2-oxo-4-phenyl-2,3-dihydroimidazol-1-yl)-N-...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2cc([nH]c2=O)-c2ccccc2)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C32H29F3N6O3/c33-32(34,35)20-41-26-14-8-7-13-24(26)27(22-11-5-2-6-12-22)37-28(29(41)42)38-30(43)39-17-15-23(16-18-39)40-19-25(36-31(40)44)21-9-3-1-4-10-21/h1-14,19,23,28H,15-18,20H2,(H,36,44)(H,38,43)/t28-/m0/s1
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]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))
BDBM50192540
PNG
((R)-4-(4-(4-(difluoromethoxy)phenyl)-2-oxo-2,3-dih...)
Show SMILES FC(F)Oc1ccc(cc1)-c1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |t:25|
Show InChI InChI=1S/C33H29F5N6O4/c34-30(35)48-23-12-10-20(11-13-23)25-18-43(32(47)39-25)22-14-16-42(17-15-22)31(46)41-28-29(45)44(19-33(36,37)38)26-9-5-4-8-24(26)27(40-28)21-6-2-1-3-7-21/h1-13,18,22,28,30H,14-17,19H2,(H,39,47)(H,41,46)/t28-/m0/s1
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19n/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))
BDBM50192559
PNG
((R)-4-(2-oxo-2,3-dihydroimidazo[4,5-b]pyridin-1-yl...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1ccccc1 |r,c:13|
Show InChI InChI=1S/C29H26F3N7O3/c30-29(31,32)17-38-21-10-5-4-9-20(21)23(18-7-2-1-3-8-18)34-25(26(38)40)36-27(41)37-15-12-19(13-16-37)39-22-11-6-14-33-24(22)35-28(39)42/h1-11,14,19,25H,12-13,15-17H2,(H,36,41)(H,33,35,42)/t25-/m0/s1
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23n/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))
BDBM50192576
PNG
((R)-4-(5-oxo-3-phenyl-4,5-dihydro-1,2,4-triazol-1-...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2nc([nH]c2=O)-c2ccccc2)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C31H28F3N7O3/c32-31(33,34)19-40-24-14-8-7-13-23(24)25(20-9-3-1-4-10-20)35-27(28(40)42)37-29(43)39-17-15-22(16-18-39)41-30(44)36-26(38-41)21-11-5-2-6-12-21/h1-14,22,27H,15-19H2,(H,37,43)(H,36,38,44)/t27-/m0/s1
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26n/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))
BDBM50192570
PNG
((R)-4-(2-oxo-1,2-dihydronaphtho[1,2-d]imidazol-3-y...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3ccc4ccccc4c3[nH]c2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C34H29F3N6O3/c35-34(36,37)20-42-26-13-7-6-12-25(26)28(22-9-2-1-3-10-22)38-30(31(42)44)40-32(45)41-18-16-23(17-19-41)43-27-15-14-21-8-4-5-11-24(21)29(27)39-33(43)46/h1-15,23,30H,16-20H2,(H,39,46)(H,40,45)/t30-/m0/s1
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27n/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))
BDBM50192571
PNG
((R)-4-(2-oxo-4-(pyridin-2-yl)-2,3-dihydroimidazol-...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2cc([nH]c2=O)-c2ccccn2)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C31H28F3N7O3/c32-31(33,34)19-41-25-12-5-4-10-22(25)26(20-8-2-1-3-9-20)37-27(28(41)42)38-29(43)39-16-13-21(14-17-39)40-18-24(36-30(40)44)23-11-6-7-15-35-23/h1-12,15,18,21,27H,13-14,16-17,19H2,(H,36,44)(H,38,43)/t27-/m0/s1
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27n/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))
BDBM50192575
PNG
((R)-4-(2,4-dioxoimidazolidin-1-yl)-N-(2-oxo-5-phen...)
Show SMILES Oc1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |r,t:15|
Show InChI InChI=1S/C26H25F3N6O4/c27-26(28,29)15-35-19-9-5-4-8-18(19)21(16-6-2-1-3-7-16)31-22(23(35)37)32-24(38)33-12-10-17(11-13-33)34-14-20(36)30-25(34)39/h1-9,14,17,22,36H,10-13,15H2,(H,30,39)(H,32,38)/t22-/m0/s1
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29n/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))
BDBM50184071
PNG
((R)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(2-...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C31H29F3N6O3/c32-31(33,34)19-40-25-13-7-5-11-23(25)26(20-8-2-1-3-9-20)36-27(28(40)41)37-29(42)38-16-14-22(15-17-38)39-18-21-10-4-6-12-24(21)35-30(39)43/h1-13,22,27H,14-19H2,(H,35,43)(H,37,42)/t27-/m0/s1
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48n/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))
BDBM50192538
PNG
((R)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3cncnc3[nH]c2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C28H25F3N8O3/c29-28(30,31)15-38-20-9-5-4-8-19(20)22(17-6-2-1-3-7-17)34-24(25(38)40)36-26(41)37-12-10-18(11-13-37)39-21-14-32-16-33-23(21)35-27(39)42/h1-9,14,16,18,24H,10-13,15H2,(H,36,41)(H,32,33,35,42)/t24-/m0/s1
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51n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]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))
BDBM50192552
PNG
((R)-4-(2-oxo-4-(4-(trifluoromethoxy)phenyl)-2,3-di...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2cc([nH]c2=O)-c2ccc(OC(F)(F)F)cc2)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C33H28F6N6O4/c34-32(35,36)19-45-26-9-5-4-8-24(26)27(21-6-2-1-3-7-21)41-28(29(45)46)42-30(47)43-16-14-22(15-17-43)44-18-25(40-31(44)48)20-10-12-23(13-11-20)49-33(37,38)39/h1-13,18,22,28H,14-17,19H2,(H,40,48)(H,42,47)/t28-/m0/s1
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104n/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))
BDBM50192561
PNG
((R)-methyl 1-(1-((2-oxo-5-phenyl-1-(2,2,2-trifluor...)
Show SMILES COC(=O)c1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |t:18|
Show InChI InChI=1S/C28H27F3N6O5/c1-42-25(39)20-15-36(27(41)32-20)18-11-13-35(14-12-18)26(40)34-23-24(38)37(16-28(29,30)31)21-10-6-5-9-19(21)22(33-23)17-7-3-2-4-8-17/h2-10,15,18,23H,11-14,16H2,1H3,(H,32,41)(H,34,40)/t23-/m0/s1
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110n/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))
BDBM50192569
PNG
((R)-4-(4-chloro-2-oxo-2,3-dihydrobenzo[d]imidazol-...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3cccc(Cl)c3[nH]c2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C30H26ClF3N6O3/c31-21-10-6-12-23-25(21)36-29(43)40(23)19-13-15-38(16-14-19)28(42)37-26-27(41)39(17-30(32,33)34)22-11-5-4-9-20(22)24(35-26)18-7-2-1-3-8-18/h1-12,19,26H,13-17H2,(H,36,43)(H,37,42)/t26-/m0/s1
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143n/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))
BDBM50192555
PNG
((R)-4-(2-oxo-2,3-dihydroimidazo[4,5-b]pyrazin-1-yl...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3nccnc3[nH]c2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C28H25F3N8O3/c29-28(30,31)16-38-20-9-5-4-8-19(20)21(17-6-2-1-3-7-17)34-23(25(38)40)36-26(41)37-14-10-18(11-15-37)39-24-22(35-27(39)42)32-12-13-33-24/h1-9,12-13,18,23H,10-11,14-16H2,(H,36,41)(H,32,35,42)/t23-/m0/s1
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156n/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))
BDBM50192568
PNG
((R)-4-(4-(4-methoxyphenyl)-2-oxo-2,3-dihydroimidaz...)
Show SMILES COc1ccc(cc1)-c1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |t:23|
Show InChI InChI=1S/C33H31F3N6O4/c1-46-24-13-11-21(12-14-24)26-19-41(32(45)37-26)23-15-17-40(18-16-23)31(44)39-29-30(43)42(20-33(34,35)36)27-10-6-5-9-25(27)28(38-29)22-7-3-2-4-8-22/h2-14,19,23,29H,15-18,20H2,1H3,(H,37,45)(H,39,44)/t29-/m0/s1
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205n/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))
BDBM50192560
PNG
((R)-4-(5-(methylsulfonyl)-2-oxo-2,3-dihydrobenzo[d...)
Show SMILES CS(=O)(=O)c1ccc2n(C3CCN(CC3)C(=O)N[C@@H]3N=C(c4ccccc4)c4ccccc4N(CC(F)(F)F)C3=O)c(=O)[nH]c2c1 |t:20|
Show InChI InChI=1S/C31H29F3N6O5S/c1-46(44,45)21-11-12-25-23(17-21)35-30(43)40(25)20-13-15-38(16-14-20)29(42)37-27-28(41)39(18-31(32,33)34)24-10-6-5-9-22(24)26(36-27)19-7-3-2-4-8-19/h2-12,17,20,27H,13-16,18H2,1H3,(H,35,43)(H,37,42)/t27-/m0/s1
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260n/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))
BDBM50192558
PNG
((R)-4-(2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-3(4...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3cccnc3NC2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C30H28F3N7O3/c31-30(32,33)18-40-23-11-5-4-10-22(23)24(19-7-2-1-3-8-19)35-26(27(40)41)37-28(42)38-15-12-21(13-16-38)39-17-20-9-6-14-34-25(20)36-29(39)43/h1-11,14,21,26H,12-13,15-18H2,(H,37,42)(H,34,36,43)/t26-/m0/s1
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295n/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))
BDBM50192554
PNG
((R)-4-(2-oxo-1,2-dihydropyrido[4,3-d]pyrimidin-3(4...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3cnccc3NC2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C30H28F3N7O3/c31-30(32,33)18-40-24-9-5-4-8-22(24)25(19-6-2-1-3-7-19)36-26(27(40)41)37-28(42)38-14-11-21(12-15-38)39-17-20-16-34-13-10-23(20)35-29(39)43/h1-10,13,16,21,26H,11-12,14-15,17-18H2,(H,35,43)(H,37,42)/t26-/m0/s1
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320n/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))
BDBM50192573
PNG
(4-(2-oxo-4-phenylimidazolidin-1-yl)-N-((R)-2-oxo-5...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2CC(NC2=O)c2ccccc2)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C32H31F3N6O3/c33-32(34,35)20-41-26-14-8-7-13-24(26)27(22-11-5-2-6-12-22)37-28(29(41)42)38-30(43)39-17-15-23(16-18-39)40-19-25(36-31(40)44)21-9-3-1-4-10-21/h1-14,23,25,28H,15-20H2,(H,36,44)(H,38,43)/t25?,28-/m0/s1
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339n/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))
BDBM50192579
PNG
((R)-4-(2-oxo-1,2-dihydropyrido[3,4-d]pyrimidin-3(4...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccncc3NC2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C30H28F3N7O3/c31-30(32,33)18-40-24-9-5-4-8-22(24)25(19-6-2-1-3-7-19)36-26(27(40)41)37-28(42)38-14-11-21(12-15-38)39-17-20-10-13-34-16-23(20)35-29(39)43/h1-10,13,16,21,26H,11-12,14-15,17-18H2,(H,35,43)(H,37,42)/t26-/m0/s1
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350n/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))
BDBM50192550
PNG
((R)-4-(4-fluoro-2-oxo-2,3-dihydrobenzo[d]imidazol-...)
Show SMILES Fc1cccc2n(C3CCN(CC3)C(=O)N[C@@H]3N=C(c4ccccc4)c4ccccc4N(CC(F)(F)F)C3=O)c(=O)[nH]c12 |t:18|
Show InChI InChI=1S/C30H26F4N6O3/c31-21-10-6-12-23-25(21)36-29(43)40(23)19-13-15-38(16-14-19)28(42)37-26-27(41)39(17-30(32,33)34)22-11-5-4-9-20(22)24(35-26)18-7-2-1-3-8-18/h1-12,19,26H,13-17H2,(H,36,43)(H,37,42)/t26-/m0/s1
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375n/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))
BDBM50192581
PNG
((R)-4-(2-oxo-1,2-dihydroimidazo[4,5-b]pyridin-3-yl...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3ncccc3[nH]c2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C29H26F3N7O3/c30-29(31,32)17-38-22-11-5-4-9-20(22)23(18-7-2-1-3-8-18)35-24(26(38)40)36-27(41)37-15-12-19(13-16-37)39-25-21(34-28(39)42)10-6-14-33-25/h1-11,14,19,24H,12-13,15-17H2,(H,34,42)(H,36,41)/t24-/m0/s1
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427n/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))
BDBM50192556
PNG
((R)-4-(4-cyano-2-oxo-2,3-dihydroimidazol-1-yl)-N-(...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2cc([nH]c2=O)C#N)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C27H24F3N7O3/c28-27(29,30)16-37-21-9-5-4-8-20(21)22(17-6-2-1-3-7-17)33-23(24(37)38)34-25(39)35-12-10-19(11-13-35)36-15-18(14-31)32-26(36)40/h1-9,15,19,23H,10-13,16H2,(H,32,40)(H,34,39)/t23-/m0/s1
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575n/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))
BDBM50192547
PNG
((R)-4-(2-oxo-2,3-dihydroimidazol-1-yl)-N-(2-oxo-5-...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2cc[nH]c2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C26H25F3N6O3/c27-26(28,29)16-35-20-9-5-4-8-19(20)21(17-6-2-1-3-7-17)31-22(23(35)36)32-25(38)33-13-10-18(11-14-33)34-15-12-30-24(34)37/h1-9,12,15,18,22H,10-11,13-14,16H2,(H,30,37)(H,32,38)/t22-/m0/s1
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583n/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))
BDBM50192546
PNG
((R)-4-(2-oxo-2,3-dihydroimidazo[4,5-c]pyridin-1-yl...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3ccncc3[nH]c2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C29H26F3N7O3/c30-29(31,32)17-38-22-9-5-4-8-20(22)24(18-6-2-1-3-7-18)35-25(26(38)40)36-27(41)37-14-11-19(12-15-37)39-23-10-13-33-16-21(23)34-28(39)42/h1-10,13,16,19,25H,11-12,14-15,17H2,(H,34,42)(H,36,41)/t25-/m0/s1
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685n/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))
BDBM50192549
PNG
(4-(2-oxo-4-(pyridin-4-yl)imidazolidin-1-yl)-N-((R)...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2CC(NC2=O)c2ccncc2)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C31H30F3N7O3/c32-31(33,34)19-41-25-9-5-4-8-23(25)26(21-6-2-1-3-7-21)37-27(28(41)42)38-29(43)39-16-12-22(13-17-39)40-18-24(36-30(40)44)20-10-14-35-15-11-20/h1-11,14-15,22,24,27H,12-13,16-19H2,(H,36,44)(H,38,43)/t24?,27-/m0/s1
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720n/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))
BDBM50192548
PNG
((R)-1-(1-((2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)...)
Show SMILES OC(=O)c1ccc2n(C3CCN(CC3)C(=O)N[C@@H]3N=C(c4ccccc4)c4ccccc4N(CC(F)(F)F)C3=O)c(=O)[nH]c2c1 |t:19|
Show InChI InChI=1S/C31H27F3N6O5/c32-31(33,34)17-39-23-9-5-4-8-21(23)25(18-6-2-1-3-7-18)36-26(27(39)41)37-29(44)38-14-12-20(13-15-38)40-24-11-10-19(28(42)43)16-22(24)35-30(40)45/h1-11,16,20,26H,12-15,17H2,(H,35,45)(H,37,44)(H,42,43)/t26-/m0/s1
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810n/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))
BDBM50192578
PNG
((R)-4-(2-oxo-1,2-dihydroimidazo[4,5-c]pyridin-3-yl...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3cnccc3[nH]c2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C29H26F3N7O3/c30-29(31,32)17-38-22-9-5-4-8-20(22)24(18-6-2-1-3-7-18)35-25(26(38)40)36-27(41)37-14-11-19(12-15-37)39-23-16-33-13-10-21(23)34-28(39)42/h1-10,13,16,19,25H,11-12,14-15,17H2,(H,34,42)(H,36,41)/t25-/m0/s1
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853n/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))
BDBM50192582
PNG
((R)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2CCNC2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C26H27F3N6O3/c27-26(28,29)16-35-20-9-5-4-8-19(20)21(17-6-2-1-3-7-17)31-22(23(35)36)32-25(38)33-13-10-18(11-14-33)34-15-12-30-24(34)37/h1-9,18,22H,10-16H2,(H,30,37)(H,32,38)/t22-/m0/s1
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855n/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))
BDBM50192584
PNG
((R)-4-(2-oxo-1,2-dihydropyrido[3,2-d]pyrimidin-3(4...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3ncccc3NC2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C30H28F3N7O3/c31-30(32,33)18-40-24-11-5-4-9-21(24)25(19-7-2-1-3-8-19)36-26(27(40)41)37-28(42)38-15-12-20(13-16-38)39-17-23-22(35-29(39)43)10-6-14-34-23/h1-11,14,20,26H,12-13,15-18H2,(H,35,43)(H,37,42)/t26-/m0/s1
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965n/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))
BDBM50192545
PNG
((R)-4-(6-fluoro-2-oxo-2,3-dihydrobenzo[d]imidazol-...)
Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C(=O)N[C@@H]3N=C(c4ccccc4)c4ccccc4N(CC(F)(F)F)C3=O)c2c1 |t:20|
Show InChI InChI=1S/C30H26F4N6O3/c31-19-10-11-22-24(16-19)40(29(43)35-22)20-12-14-38(15-13-20)28(42)37-26-27(41)39(17-30(32,33)34)23-9-5-4-8-21(23)25(36-26)18-6-2-1-3-7-18/h1-11,16,20,26H,12-15,17H2,(H,35,43)(H,37,42)/t26-/m0/s1
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983n/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))
BDBM50192544
PNG
(4-(2-oxo-4-oxy-2,3-dihydro-imidazo[4,5-b]pyridin-1...)
Show SMILES Oc1nc2[n+]([O-])cccc2n1C1CCN(CC1)C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O |t:24|
Show InChI InChI=1S/C29H26F3N7O4/c30-29(31,32)17-37-21-10-5-4-9-20(21)23(18-7-2-1-3-8-18)33-24(26(37)40)34-27(41)36-15-12-19(13-16-36)39-22-11-6-14-38(43)25(22)35-28(39)42/h1-11,14,19,24H,12-13,15-17H2,(H,34,41)(H,35,42)/t24-/m0/s1
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1.00E+3n/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))
BDBM50192563
PNG
(4-(2-oxo-4-(pyridin-3-yl)imidazolidin-1-yl)-N-((R)...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2CC(NC2=O)c2cccnc2)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C31H30F3N7O3/c32-31(33,34)19-41-25-11-5-4-10-23(25)26(20-7-2-1-3-8-20)37-27(28(41)42)38-29(43)39-15-12-22(13-16-39)40-18-24(36-30(40)44)21-9-6-14-35-17-21/h1-11,14,17,22,24,27H,12-13,15-16,18-19H2,(H,36,44)(H,38,43)/t24?,27-/m0/s1
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1.05E+3n/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))
BDBM50192565
PNG
((R)-1-(1-((2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)...)
Show SMILES NC(=O)c1ccc2n(C3CCN(CC3)C(=O)N[C@@H]3N=C(c4ccccc4)c4ccccc4N(CC(F)(F)F)C3=O)c(=O)[nH]c2c1 |t:19|
Show InChI InChI=1S/C31H28F3N7O4/c32-31(33,34)17-40-23-9-5-4-8-21(23)25(18-6-2-1-3-7-18)37-27(28(40)43)38-29(44)39-14-12-20(13-15-39)41-24-11-10-19(26(35)42)16-22(24)36-30(41)45/h1-11,16,20,27H,12-15,17H2,(H2,35,42)(H,36,45)(H,38,44)/t27-/m0/s1
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1.06E+3n/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))
BDBM50192580
PNG
((R)-4-(4-benzyl-2-oxo-2,3-dihydroimidazol-1-yl)-N-...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2cc(Cc3ccccc3)[nH]c2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C33H31F3N6O3/c34-33(35,36)21-42-27-14-8-7-13-26(27)28(23-11-5-2-6-12-23)38-29(30(42)43)39-31(44)40-17-15-25(16-18-40)41-20-24(37-32(41)45)19-22-9-3-1-4-10-22/h1-14,20,25,29H,15-19,21H2,(H,37,45)(H,39,44)/t29-/m0/s1
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1.13E+3n/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))
BDBM50192572
PNG
(4-(2-oxo-4-(pyridin-2-yl)imidazolidin-1-yl)-N-((R)...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2CC(NC2=O)c2ccccn2)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C31H30F3N7O3/c32-31(33,34)19-41-25-12-5-4-10-22(25)26(20-8-2-1-3-9-20)37-27(28(41)42)38-29(43)39-16-13-21(14-17-39)40-18-24(36-30(40)44)23-11-6-7-15-35-23/h1-12,15,21,24,27H,13-14,16-19H2,(H,36,44)(H,38,43)/t24?,27-/m0/s1
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2.00E+3n/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))
BDBM50184075
PNG
((R)-4-(2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)-N-(...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C1=O)c1ccccc1 |r,c:13|
Show InChI InChI=1S/C30H27F3N6O3/c31-30(32,33)18-38-23-12-6-4-10-21(23)25(19-8-2-1-3-9-19)35-26(27(38)40)36-28(41)37-16-14-20(15-17-37)39-24-13-7-5-11-22(24)34-29(39)42/h1-13,20,26H,14-18H2,(H,34,42)(H,36,41)/t26-/m0/s1
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2.25E+3n/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))
BDBM50192585
PNG
((R)-4-(5-fluoro-2-oxo-2,3-dihydrobenzo[d]imidazol-...)
Show SMILES Fc1ccc2n(C3CCN(CC3)C(=O)N[C@@H]3N=C(c4ccccc4)c4ccccc4N(CC(F)(F)F)C3=O)c(=O)[nH]c2c1 |t:17|
Show InChI InChI=1S/C30H26F4N6O3/c31-19-10-11-24-22(16-19)35-29(43)40(24)20-12-14-38(15-13-20)28(42)37-26-27(41)39(17-30(32,33)34)23-9-5-4-8-21(23)25(36-26)18-6-2-1-3-7-18/h1-11,16,20,26H,12-15,17H2,(H,35,43)(H,37,42)/t26-/m0/s1
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2.80E+3n/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))
BDBM50192562
PNG
((R)-1-(1-((2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)...)
Show SMILES OC(=O)c1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |t:17|
Show InChI InChI=1S/C27H25F3N6O5/c28-27(29,30)15-36-20-9-5-4-8-18(20)21(16-6-2-1-3-7-16)32-22(23(36)37)33-25(40)34-12-10-17(11-13-34)35-14-19(24(38)39)31-26(35)41/h1-9,14,17,22H,10-13,15H2,(H,31,41)(H,33,40)(H,38,39)/t22-/m0/s1
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2.90E+3n/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))
BDBM50192583
PNG
((R)-4-(2-oxo-5-(trifluoromethyl)-2,3-dihydrobenzo[...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3ccc(cc3[nH]c2=O)C(F)(F)F)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C31H26F6N6O3/c32-30(33,34)17-42-23-9-5-4-8-21(23)25(18-6-2-1-3-7-18)39-26(27(42)44)40-28(45)41-14-12-20(13-15-41)43-24-11-10-19(31(35,36)37)16-22(24)38-29(43)46/h1-11,16,20,26H,12-15,17H2,(H,38,46)(H,40,45)/t26-/m0/s1
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3.80E+3n/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))
BDBM50192567
PNG
((R)-4-(4-isopropyl-2-oxo-2,3-dihydroimidazol-1-yl)...)
Show SMILES CC(C)c1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |t:17|
Show InChI InChI=1S/C29H31F3N6O3/c1-18(2)22-16-37(28(41)33-22)20-12-14-36(15-13-20)27(40)35-25-26(39)38(17-29(30,31)32)23-11-7-6-10-21(23)24(34-25)19-8-4-3-5-9-19/h3-11,16,18,20,25H,12-15,17H2,1-2H3,(H,33,41)(H,35,40)/t25-/m0/s1
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5.34E+3n/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))
BDBM50192543
PNG
((R)-4-(5-methyl-2-oxo-2,3-dihydrobenzo[d]imidazol-...)
Show SMILES Cc1ccc2n(C3CCN(CC3)C(=O)N[C@@H]3N=C(c4ccccc4)c4ccccc4N(CC(F)(F)F)C3=O)c(=O)[nH]c2c1 |t:17|
Show InChI InChI=1S/C31H29F3N6O3/c1-19-11-12-25-23(17-19)35-30(43)40(25)21-13-15-38(16-14-21)29(42)37-27-28(41)39(18-31(32,33)34)24-10-6-5-9-22(24)26(36-27)20-7-3-2-4-8-20/h2-12,17,21,27H,13-16,18H2,1H3,(H,35,43)(H,37,42)/t27-/m0/s1
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6.10E+3n/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))
BDBM50192574
PNG
((R)-4-(7-chloro-2-oxo-2,3-dihydrobenzo[d]imidazol-...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3c(Cl)cccc3[nH]c2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C30H26ClF3N6O3/c31-21-10-6-11-22-25(21)40(29(43)35-22)19-13-15-38(16-14-19)28(42)37-26-27(41)39(17-30(32,33)34)23-12-5-4-9-20(23)24(36-26)18-7-2-1-3-8-18/h1-12,19,26H,13-17H2,(H,35,43)(H,37,42)/t26-/m0/s1
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6.40E+3n/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))
BDBM50192566
PNG
((R)-4-(4-methyl-2-oxo-2,3-dihydrobenzo[d]imidazol-...)
Show SMILES Cc1cccc2n(C3CCN(CC3)C(=O)N[C@@H]3N=C(c4ccccc4)c4ccccc4N(CC(F)(F)F)C3=O)c(=O)[nH]c12 |t:18|
Show InChI InChI=1S/C31H29F3N6O3/c1-19-8-7-13-24-25(19)36-30(43)40(24)21-14-16-38(17-15-21)29(42)37-27-28(41)39(18-31(32,33)34)23-12-6-5-11-22(23)26(35-27)20-9-3-2-4-10-20/h2-13,21,27H,14-18H2,1H3,(H,36,43)(H,37,42)/t27-/m0/s1
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6.90E+3n/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))
BDBM50192541
PNG
((R)-4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazol-...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3ccc(Cl)cc3[nH]c2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C30H26ClF3N6O3/c31-19-10-11-24-22(16-19)35-29(43)40(24)20-12-14-38(15-13-20)28(42)37-26-27(41)39(17-30(32,33)34)23-9-5-4-8-21(23)25(36-26)18-6-2-1-3-7-18/h1-11,16,20,26H,12-15,17H2,(H,35,43)(H,37,42)/t26-/m0/s1
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>1.00E+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 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))
BDBM50192577
PNG
((R)-4-(4-(hydroxymethyl)-2-oxo-2,3-dihydroimidazol...)
Show SMILES OCc1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |t:16|
Show InChI InChI=1S/C27H27F3N6O4/c28-27(29,30)16-36-21-9-5-4-8-20(21)22(17-6-2-1-3-7-17)32-23(24(36)38)33-25(39)34-12-10-19(11-13-34)35-14-18(15-37)31-26(35)40/h1-9,14,19,23,37H,10-13,15-16H2,(H,31,40)(H,33,39)/t23-/m0/s1
PDB

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2.00E+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 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))
BDBM50192557
PNG
((R)-4-(7-methyl-2-oxo-2,3-dihydrobenzo[d]imidazol-...)
Show SMILES Cc1cccc2[nH]c(=O)n(C3CCN(CC3)C(=O)N[C@@H]3N=C(c4ccccc4)c4ccccc4N(CC(F)(F)F)C3=O)c12 |t:21|
Show InChI InChI=1S/C31H29F3N6O3/c1-19-8-7-12-23-26(19)40(30(43)35-23)21-14-16-38(17-15-21)29(42)37-27-28(41)39(18-31(32,33)34)24-13-6-5-11-22(24)25(36-27)20-9-3-2-4-10-20/h2-13,21,27H,14-18H2,1H3,(H,35,43)(H,37,42)/t27-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+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 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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