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Compile Data Set for Download or QSAR

Found 854 hits with Last Name = 'salvatore' and Initial = 'ca'   
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 (CGRP alpha)


(Homo sapiens (Human))
BDBM50356281
PNG
(CHEMBL1910953)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C163H269N51O49S2/c1-73(2)52-97(186-116(226)65-179-131(233)82(18)183-139(241)98(53-74(3)4)193-137(239)94(44-35-49-176-162(171)172)188-142(244)101(57-91-62-175-72-182-91)199-159(261)128(88(24)221)213-156(258)123(79(13)14)207-151(253)110(71-265)204-160(262)126(86(22)219)210-133(235)84(20)185-157(259)125(85(21)218)211-147(249)105(61-119(229)230)198-150(252)109(70-264)203-130(232)81(17)166)140(242)194-99(54-75(5)6)141(243)202-108(69-217)149(251)190-95(45-36-50-177-163(173)174)138(240)201-106(67-215)134(236)180-63-115(225)178-64-118(228)205-121(77(9)10)155(257)208-122(78(11)12)154(256)191-93(43-32-34-48-165)136(238)196-102(58-112(167)222)144(246)197-103(59-113(168)223)143(245)195-100(56-90-40-29-26-30-41-90)145(247)209-124(80(15)16)161(263)214-51-37-46-111(214)152(254)212-127(87(23)220)158(260)200-104(60-114(169)224)146(248)206-120(76(7)8)153(255)181-66-117(227)187-107(68-216)148(250)189-92(42-31-33-47-164)135(237)184-83(19)132(234)192-96(129(170)231)55-89-38-27-25-28-39-89/h25-30,38-41,62,72-88,92-111,120-128,215-221,264-265H,31-37,42-61,63-71,164-166H2,1-24H3,(H2,167,222)(H2,168,223)(H2,169,224)(H2,170,231)(H,175,182)(H,178,225)(H,179,233)(H,180,236)(H,181,255)(H,183,241)(H,184,237)(H,185,259)(H,186,226)(H,187,227)(H,188,244)(H,189,250)(H,190,251)(H,191,256)(H,192,234)(H,193,239)(H,194,242)(H,195,245)(H,196,238)(H,197,246)(H,198,252)(H,199,261)(H,200,260)(H,201,240)(H,202,243)(H,203,232)(H,204,262)(H,205,228)(H,206,248)(H,207,253)(H,208,257)(H,209,247)(H,210,235)(H,211,249)(H,212,254)(H,213,258)(H,229,230)(H4,171,172,176)(H4,173,174,177)/t81-,82-,83-,84-,85+,86+,87+,88+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-,124-,125-,126-,127-,128-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in the absence of MgCl2


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM50356281
PNG
(CHEMBL1910953)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C163H269N51O49S2/c1-73(2)52-97(186-116(226)65-179-131(233)82(18)183-139(241)98(53-74(3)4)193-137(239)94(44-35-49-176-162(171)172)188-142(244)101(57-91-62-175-72-182-91)199-159(261)128(88(24)221)213-156(258)123(79(13)14)207-151(253)110(71-265)204-160(262)126(86(22)219)210-133(235)84(20)185-157(259)125(85(21)218)211-147(249)105(61-119(229)230)198-150(252)109(70-264)203-130(232)81(17)166)140(242)194-99(54-75(5)6)141(243)202-108(69-217)149(251)190-95(45-36-50-177-163(173)174)138(240)201-106(67-215)134(236)180-63-115(225)178-64-118(228)205-121(77(9)10)155(257)208-122(78(11)12)154(256)191-93(43-32-34-48-165)136(238)196-102(58-112(167)222)144(246)197-103(59-113(168)223)143(245)195-100(56-90-40-29-26-30-41-90)145(247)209-124(80(15)16)161(263)214-51-37-46-111(214)152(254)212-127(87(23)220)158(260)200-104(60-114(169)224)146(248)206-120(76(7)8)153(255)181-66-117(227)187-107(68-216)148(250)189-92(42-31-33-47-164)135(237)184-83(19)132(234)192-96(129(170)231)55-89-38-27-25-28-39-89/h25-30,38-41,62,72-88,92-111,120-128,215-221,264-265H,31-37,42-61,63-71,164-166H2,1-24H3,(H2,167,222)(H2,168,223)(H2,169,224)(H2,170,231)(H,175,182)(H,178,225)(H,179,233)(H,180,236)(H,181,255)(H,183,241)(H,184,237)(H,185,259)(H,186,226)(H,187,227)(H,188,244)(H,189,250)(H,190,251)(H,191,256)(H,192,234)(H,193,239)(H,194,242)(H,195,245)(H,196,238)(H,197,246)(H,198,252)(H,199,261)(H,200,260)(H,201,240)(H,202,243)(H,203,232)(H,204,262)(H,205,228)(H,206,248)(H,207,253)(H,208,257)(H,209,247)(H,210,235)(H,211,249)(H,212,254)(H,213,258)(H,229,230)(H4,171,172,176)(H4,173,174,177)/t81-,82-,83-,84-,85+,86+,87+,88+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-,124-,125-,126-,127-,128-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50184069
PNG
(CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1
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0.0140n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440788
PNG
(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
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0.0170n/an/an/an/an/an/an/an/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
PNG
(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
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0.0190n/an/an/an/an/an/an/an/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))
BDBM50440784
PNG
(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
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0.0210n/an/an/an/an/an/an/an/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
PNG
(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
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0.0210n/an/an/an/an/an/an/an/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
PNG
(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
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0.0220n/an/an/an/an/an/an/an/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))
BDBM50315401
PNG
((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
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0.0230n/an/an/an/an/an/an/an/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 (CGRP alpha)


(Homo sapiens (Human))
BDBM50356282
PNG
(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
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0.0240n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440793
PNG
(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
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0.0340n/an/an/an/an/an/an/an/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
PNG
(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
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0.0350n/an/an/an/an/an/an/an/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


(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 |r|
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))
BDBM50329174
PNG
(CHEMBL1269644 | N-(((R)-2,3-dihydro-1H-inden-1-yl)...)
Show SMILES CC(C)(C)C(=O)N(C[C@@H]1CCc2ccccc12)Cc1cnc2cc3C[C@]4(Cc3cc2c1)C(=O)Nc1ncccc41 |r|
Show InChI InChI=1S/C34H34N4O2/c1-33(2,3)32(40)38(20-23-11-10-22-7-4-5-8-27(22)23)19-21-13-24-14-25-16-34(17-26(25)15-29(24)36-18-21)28-9-6-12-35-30(28)37-31(34)39/h4-9,12-15,18,23H,10-11,16-17,19-20H2,1-3H3,(H,35,37,39)/t23-,34-/m0/s1
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0.0370n/an/an/an/an/an/an/an/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 20: 6827-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.105
BindingDB Entry DOI: 10.7270/Q2Z89CNJ
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 |r|
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))
BDBM50254445
PNG
((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
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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]human CGRP from human CLR expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50254445
PNG
((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
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0.0400n/an/an/an/an/an/an/an/a



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))
BDBM50254445
PNG
((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
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0.0400n/an/an/an/an/an/an/an/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


(Homo sapiens (Human))
BDBM50385314
PNG
(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
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0.0400n/an/an/an/an/an/an/an/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))
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 |r|
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/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50444982
PNG
(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
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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))
BDBM50440786
PNG
(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
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0.0450n/an/an/an/an/an/an/an/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))
BDBM50440789
PNG
(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
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0.0460n/an/an/an/an/an/an/an/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))
BDBM50444972
PNG
(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
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0.0500n/an/an/an/an/an/an/an/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))
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 |r|
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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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 |r|
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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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/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM103499
PNG
(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
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0.0500n/an/an/an/an/an/an/an/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))
BDBM50385309
PNG
(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
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0.0520n/an/an/an/an/an/an/an/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
PNG
(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
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0.0560n/an/an/an/an/an/an/an/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))
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 |r|
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))
BDBM50315409
PNG
(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
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0.0720n/an/an/an/an/an/an/an/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
PNG
(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
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0.0800n/an/an/an/an/an/an/an/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
PNG
(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
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0.0900n/an/an/an/an/an/an/an/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
PNG
(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
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0.0940n/an/an/an/an/an/an/an/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))
BDBM50329172
PNG
(CHEMBL1270291 | N-(((S)-2'-oxo-1',2',6,8-tetrahydr...)
Show SMILES C[C@@H](N(Cc1cnc2cc3C[C@]4(Cc3cc2c1)C(=O)Nc1ncccc41)C(=O)C(C)(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C32H32N4O2/c1-20(22-9-6-5-7-10-22)36(30(38)31(2,3)4)19-21-13-23-14-24-16-32(17-25(24)15-27(23)34-18-21)26-11-8-12-33-28(26)35-29(32)37/h5-15,18,20H,16-17,19H2,1-4H3,(H,33,35,37)/t20-,32+/m1/s1
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0.100n/an/an/an/an/an/an/an/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 20: 6827-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.105
BindingDB Entry DOI: 10.7270/Q2Z89CNJ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440783
PNG
(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
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0.110n/an/an/an/an/an/an/an/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))
BDBM50329175
PNG
(CHEMBL1269645 | N-(((R)-2,3-dihydro-1H-inden-1-yl)...)
Show SMILES CC(C)(C)C(=O)N(C[C@@H]1CCc2ccccc12)Cc1ccc2nc3C[C@]4(Cc3cc2c1)C(=O)Nc1ncccc41 |r|
Show InChI InChI=1S/C34H34N4O2/c1-33(2,3)32(40)38(20-23-12-11-22-7-4-5-8-26(22)23)19-21-10-13-28-24(15-21)16-25-17-34(18-29(25)36-28)27-9-6-14-35-30(27)37-31(34)39/h4-10,13-16,23H,11-12,17-20H2,1-3H3,(H,35,37,39)/t23-,34-/m0/s1
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0.110n/an/an/an/an/an/an/an/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 20: 6827-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.105
BindingDB Entry DOI: 10.7270/Q2Z89CNJ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440792
PNG
(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
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0.110n/an/an/an/an/an/an/an/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))
BDBM50296785
PNG
((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...)
Show SMILES O=C(Cn1cc2CC(=O)Nc3cccc1c23)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C27H21N5O3/c33-22-10-17-13-32(21-5-1-4-20(30-22)24(17)21)14-23(34)29-18-7-6-15-11-27(12-16(15)9-18)19-3-2-8-28-25(19)31-26(27)35/h1-9,13H,10-12,14H2,(H,29,34)(H,30,33)(H,28,31,35)/t27-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]human CGRP from human CLR expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 19: 4740-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.057
BindingDB Entry DOI: 10.7270/Q2QV3MJH
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50329173
PNG
(CHEMBL1270391 | N-((R)-1-(3,5-difluorophenyl)ethyl...)
Show SMILES C[C@@H](N(Cc1cnc2cc3C[C@]4(Cc3cc2c1)C(=O)Nc1ncccc41)C(=O)C(C)(C)C)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C32H30F2N4O2/c1-18(20-10-24(33)13-25(34)11-20)38(30(40)31(2,3)4)17-19-8-21-9-22-14-32(15-23(22)12-27(21)36-16-19)26-6-5-7-35-28(26)37-29(32)39/h5-13,16,18H,14-15,17H2,1-4H3,(H,35,37,39)/t18-,32+/m1/s1
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0.120n/an/an/an/an/an/an/an/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 20: 6827-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.105
BindingDB Entry DOI: 10.7270/Q2Z89CNJ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315407
PNG
(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
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0.120n/an/an/an/an/an/an/an/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


(Homo sapiens (Human))
BDBM50301969
PNG
(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
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0.130n/an/an/an/an/an/an/an/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))
BDBM103501
PNG
(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
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0.130n/an/an/an/an/an/an/an/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))
BDBM50444976
PNG
(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
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0.130n/an/an/an/an/an/an/an/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))
BDBM50444971
PNG
(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
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0.130n/an/an/an/an/an/an/an/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))
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 |r|
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))
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 |r|
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))
BDBM50329176
PNG
(CHEMBL1269646 | N-(((R)-2,3-dihydro-1H-inden-1-yl)...)
Show SMILES CC(C)(C)C(=O)N(C[C@@H]1CCc2ccccc12)Cc1cnc2nc3C[C@]4(Cc3cc2c1)C(=O)Nc1ncccc41 |r|
Show InChI InChI=1S/C33H33N5O2/c1-32(2,3)31(40)38(19-22-11-10-21-7-4-5-8-25(21)22)18-20-13-23-14-24-15-33(16-27(24)36-28(23)35-17-20)26-9-6-12-34-29(26)37-30(33)39/h4-9,12-14,17,22H,10-11,15-16,18-19H2,1-3H3,(H,34,37,39)/t22-,33-/m0/s1
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0.150n/an/an/an/an/an/an/an/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 20: 6827-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.105
BindingDB Entry DOI: 10.7270/Q2Z89CNJ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50444975
PNG
(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
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0.160n/an/an/an/an/an/an/an/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))
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 |r|
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
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