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Compile Data Set for Download or QSAR

Found 143 hits Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide (CGRP alpha)'   
Target
(Institution)
LigandTarget
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))
BDBM50150463
PNG
(CHEMBL3771371)
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Article
PubMed
n/an/a 0.110n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
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
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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PubMed
n/an/a 0.120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CGRP receptor expressed in huamn HEK293 cells coexpressing CLR/RAMP1 assessed as inhibition of CGRP-stimulated cAMP production af...


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246690
PNG
(Ac-WVTHRLAGLLSRSGGVVRKNFVPTDVGPFAF-NH2 | CHEMBL503...)
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](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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](CCCN=C(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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C159H246N46O39/c1-79(2)60-104(182-119(213)74-175-131(219)87(17)179-138(226)105(61-80(3)4)188-136(224)100(49-35-55-170-157(163)164)184-142(230)110(67-96-71-169-78-178-96)193-155(243)129(90(20)209)203-153(241)126(85(13)14)199-145(233)109(181-91(21)210)66-95-70-173-98-47-32-31-46-97(95)98)140(228)189-106(62-81(5)6)141(229)196-114(77-207)147(235)185-101(50-36-56-171-158(165)166)137(225)195-113(76-206)133(221)176-72-118(212)174-73-120(214)197-124(83(9)10)152(240)200-125(84(11)12)151(239)186-102(51-37-57-172-159(167)168)134(222)183-99(48-33-34-54-160)135(223)191-111(68-117(161)211)143(231)190-108(65-94-44-29-24-30-45-94)144(232)201-127(86(15)16)156(244)205-59-39-53-116(205)149(237)202-128(89(19)208)154(242)194-112(69-122(216)217)146(234)198-123(82(7)8)150(238)177-75-121(215)204-58-38-52-115(204)148(236)192-107(64-93-42-27-23-28-43-93)139(227)180-88(18)132(220)187-103(130(162)218)63-92-40-25-22-26-41-92/h22-32,40-47,70-71,78-90,99-116,123-129,173,206-209H,33-39,48-69,72-77,160H2,1-21H3,(H2,161,211)(H2,162,218)(H,169,178)(H,174,212)(H,175,219)(H,176,221)(H,177,238)(H,179,226)(H,180,227)(H,181,210)(H,182,213)(H,183,222)(H,184,230)(H,185,235)(H,186,239)(H,187,220)(H,188,224)(H,189,228)(H,190,231)(H,191,223)(H,192,236)(H,193,243)(H,194,242)(H,195,225)(H,196,229)(H,197,214)(H,198,234)(H,199,233)(H,200,240)(H,201,232)(H,202,237)(H,203,241)(H,216,217)(H4,163,164,170)(H4,165,166,171)(H4,167,168,172)/t87-,88-,89+,90+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,123-,124-,125-,126-,127-,128-,129-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150464
PNG
(CHEMBL3771314)
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Article
PubMed
n/an/a 0.230n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246694
PNG
(Ac-WVTHQLAGLLSQSGGVVRKNFVPTDVGPFAF-NH2 | CHEMBL524...)
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](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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](CCC(N)=O)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C157H238N42O41/c1-77(2)58-102(176-119(209)72-169-131(215)85(17)173-138(222)103(59-78(3)4)182-136(220)99(50-52-115(159)205)178-142(226)108(65-94-69-165-76-172-94)187-155(239)129(88(20)203)197-153(237)126(83(13)14)193-145(229)107(175-89(21)204)64-93-68-167-96-45-32-31-44-95(93)96)140(224)183-104(60-79(5)6)141(225)190-112(75-201)147(231)179-100(51-53-116(160)206)137(221)189-111(74-200)133(217)170-70-118(208)168-71-120(210)191-124(81(9)10)152(236)194-125(82(11)12)151(235)180-98(47-35-55-166-157(163)164)134(218)177-97(46-33-34-54-158)135(219)185-109(66-117(161)207)143(227)184-106(63-92-42-29-24-30-43-92)144(228)195-127(84(15)16)156(240)199-57-37-49-114(199)149(233)196-128(87(19)202)154(238)188-110(67-122(212)213)146(230)192-123(80(7)8)150(234)171-73-121(211)198-56-36-48-113(198)148(232)186-105(62-91-40-27-23-28-41-91)139(223)174-86(18)132(216)181-101(130(162)214)61-90-38-25-22-26-39-90/h22-32,38-45,68-69,76-88,97-114,123-129,167,200-203H,33-37,46-67,70-75,158H2,1-21H3,(H2,159,205)(H2,160,206)(H2,161,207)(H2,162,214)(H,165,172)(H,168,208)(H,169,215)(H,170,217)(H,171,234)(H,173,222)(H,174,223)(H,175,204)(H,176,209)(H,177,218)(H,178,226)(H,179,231)(H,180,235)(H,181,216)(H,182,220)(H,183,224)(H,184,227)(H,185,219)(H,186,232)(H,187,239)(H,188,238)(H,189,221)(H,190,225)(H,191,210)(H,192,230)(H,193,229)(H,194,236)(H,195,228)(H,196,233)(H,197,237)(H,212,213)(H4,163,164,166)/t85-,86-,87+,88+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,123-,124-,125-,126-,127-,128-,129-/m0/s1
Reactome pathway

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PubMed
n/an/a 0.530n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246691
PNG
(Ac-WVTH[Cit]LAGLLSRSGGVVRKNFVPTDVGPFAF-NH2 | CHEMB...)
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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C159H245N45O40/c1-79(2)60-104(181-119(212)74-174-131(218)87(17)178-138(225)105(61-80(3)4)187-136(223)100(51-37-57-171-159(167)244)183-142(229)110(67-96-71-168-78-177-96)192-155(242)129(90(20)208)202-153(240)126(85(13)14)198-145(232)109(180-91(21)209)66-95-70-172-98-47-32-31-46-97(95)98)140(227)188-106(62-81(5)6)141(228)195-114(77-206)147(234)184-101(49-35-55-169-157(163)164)137(224)194-113(76-205)133(220)175-72-118(211)173-73-120(213)196-124(83(9)10)152(239)199-125(84(11)12)151(238)185-102(50-36-56-170-158(165)166)134(221)182-99(48-33-34-54-160)135(222)190-111(68-117(161)210)143(230)189-108(65-94-44-29-24-30-45-94)144(231)200-127(86(15)16)156(243)204-59-39-53-116(204)149(236)201-128(89(19)207)154(241)193-112(69-122(215)216)146(233)197-123(82(7)8)150(237)176-75-121(214)203-58-38-52-115(203)148(235)191-107(64-93-42-27-23-28-43-93)139(226)179-88(18)132(219)186-103(130(162)217)63-92-40-25-22-26-41-92/h22-32,40-47,70-71,78-90,99-116,123-129,172,205-208H,33-39,48-69,72-77,160H2,1-21H3,(H2,161,210)(H2,162,217)(H,168,177)(H,173,211)(H,174,218)(H,175,220)(H,176,237)(H,178,225)(H,179,226)(H,180,209)(H,181,212)(H,182,221)(H,183,229)(H,184,234)(H,185,238)(H,186,219)(H,187,223)(H,188,227)(H,189,230)(H,190,222)(H,191,235)(H,192,242)(H,193,241)(H,194,224)(H,195,228)(H,196,213)(H,197,233)(H,198,232)(H,199,239)(H,200,231)(H,201,236)(H,202,240)(H,215,216)(H4,163,164,169)(H4,165,166,170)(H3,167,171,244)/t87-,88-,89+,90+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,123-,124-,125-,126-,127-,128-,129-/m0/s1
Reactome pathway

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Article
PubMed
n/an/a 0.570n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246692
PNG
(Ac-WVTHRLAGLLS[Cit]SGGVVRKNFVPTDVGPFAF-NH2 | CHEMB...)
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](Cc1c[nH]c2ccccc12)NC(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)=O)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C159H245N45O40/c1-79(2)60-104(181-119(212)74-174-131(218)87(17)178-138(225)105(61-80(3)4)187-136(223)100(49-35-55-169-157(163)164)183-142(229)110(67-96-71-168-78-177-96)192-155(242)129(90(20)208)202-153(240)126(85(13)14)198-145(232)109(180-91(21)209)66-95-70-172-98-47-32-31-46-97(95)98)140(227)188-106(62-81(5)6)141(228)195-114(77-206)147(234)184-101(51-37-57-171-159(167)244)137(224)194-113(76-205)133(220)175-72-118(211)173-73-120(213)196-124(83(9)10)152(239)199-125(84(11)12)151(238)185-102(50-36-56-170-158(165)166)134(221)182-99(48-33-34-54-160)135(222)190-111(68-117(161)210)143(230)189-108(65-94-44-29-24-30-45-94)144(231)200-127(86(15)16)156(243)204-59-39-53-116(204)149(236)201-128(89(19)207)154(241)193-112(69-122(215)216)146(233)197-123(82(7)8)150(237)176-75-121(214)203-58-38-52-115(203)148(235)191-107(64-93-42-27-23-28-43-93)139(226)179-88(18)132(219)186-103(130(162)217)63-92-40-25-22-26-41-92/h22-32,40-47,70-71,78-90,99-116,123-129,172,205-208H,33-39,48-69,72-77,160H2,1-21H3,(H2,161,210)(H2,162,217)(H,168,177)(H,173,211)(H,174,218)(H,175,220)(H,176,237)(H,178,225)(H,179,226)(H,180,209)(H,181,212)(H,182,221)(H,183,229)(H,184,234)(H,185,238)(H,186,219)(H,187,223)(H,188,227)(H,189,230)(H,190,222)(H,191,235)(H,192,242)(H,193,241)(H,194,224)(H,195,228)(H,196,213)(H,197,233)(H,198,232)(H,199,239)(H,200,231)(H,201,236)(H,202,240)(H,215,216)(H4,163,164,169)(H4,165,166,170)(H3,167,171,244)/t87-,88-,89+,90+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,123-,124-,125-,126-,127-,128-,129-/m0/s1
Reactome pathway

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Article
PubMed
n/an/a 0.580n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246687
PNG
(CHEMBL500283 | WVTHRLAGLLSRSGGVVKNNFVPTNVGSKAF-NH2)
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](N)Cc1c[nH]c2ccccc12)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
Show InChI InChI=1S/C150H240N46O39/c1-72(2)52-96(173-112(206)66-167-123(210)80(17)171-131(218)97(53-73(3)4)180-129(216)93(44-33-49-163-149(158)159)175-134(221)100(58-87-63-162-71-170-87)185-147(234)121(83(20)201)195-145(232)118(78(13)14)190-125(212)89(153)57-86-62-165-90-41-28-27-40-88(86)90)132(219)181-98(54-74(5)6)133(220)188-106(70-199)140(227)177-94(45-34-50-164-150(160)161)130(217)187-104(68-197)126(213)168-64-111(205)166-65-114(208)189-116(76(9)10)144(231)192-117(77(11)12)143(230)178-92(43-30-32-48-152)128(215)183-101(59-108(154)202)136(223)184-102(60-109(155)203)135(222)182-99(56-85-38-25-22-26-39-85)137(224)193-119(79(15)16)148(235)196-51-35-46-107(196)141(228)194-120(82(19)200)146(233)186-103(61-110(156)204)138(225)191-115(75(7)8)142(229)169-67-113(207)174-105(69-198)139(226)176-91(42-29-31-47-151)127(214)172-81(18)124(211)179-95(122(157)209)55-84-36-23-21-24-37-84/h21-28,36-41,62-63,71-83,89,91-107,115-121,165,197-201H,29-35,42-61,64-70,151-153H2,1-20H3,(H2,154,202)(H2,155,203)(H2,156,204)(H2,157,209)(H,162,170)(H,166,205)(H,167,210)(H,168,213)(H,169,229)(H,171,218)(H,172,214)(H,173,206)(H,174,207)(H,175,221)(H,176,226)(H,177,227)(H,178,230)(H,179,211)(H,180,216)(H,181,219)(H,182,222)(H,183,215)(H,184,223)(H,185,234)(H,186,233)(H,187,217)(H,188,220)(H,189,208)(H,190,212)(H,191,225)(H,192,231)(H,193,224)(H,194,228)(H,195,232)(H4,158,159,163)(H4,160,161,164)/t80-,81-,82+,83+,89-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,115-,116-,117-,118-,119-,120-,121-/m0/s1
Reactome pathway

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.640n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246689
PNG
(Ac-VTHRLAGLLSRSGGVVRKNFVPTDVGPFAF-NH2 | CHEMBL5108...)
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](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(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](CCCN=C(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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C148H236N44O38/c1-73(2)56-95(170-109(200)68-163-121(206)81(17)167-128(213)96(57-74(3)4)176-126(211)91(45-33-51-159-146(152)153)172-132(217)100(62-89-65-158-72-166-89)181-144(229)119(84(20)196)190-141(226)114(77(9)10)169-85(21)197)130(215)177-97(58-75(5)6)131(216)184-104(71-194)136(221)173-92(46-34-52-160-147(154)155)127(212)183-103(70-193)123(208)164-66-108(199)162-67-110(201)185-115(78(11)12)142(227)187-116(79(13)14)140(225)174-93(47-35-53-161-148(156)157)124(209)171-90(44-31-32-50-149)125(210)179-101(63-107(150)198)133(218)178-99(61-88-42-29-24-30-43-88)134(219)188-117(80(15)16)145(230)192-55-37-49-106(192)138(223)189-118(83(19)195)143(228)182-102(64-112(203)204)135(220)186-113(76(7)8)139(224)165-69-111(202)191-54-36-48-105(191)137(222)180-98(60-87-40-27-23-28-41-87)129(214)168-82(18)122(207)175-94(120(151)205)59-86-38-25-22-26-39-86/h22-30,38-43,65,72-84,90-106,113-119,193-196H,31-37,44-64,66-71,149H2,1-21H3,(H2,150,198)(H2,151,205)(H,158,166)(H,162,199)(H,163,206)(H,164,208)(H,165,224)(H,167,213)(H,168,214)(H,169,197)(H,170,200)(H,171,209)(H,172,217)(H,173,221)(H,174,225)(H,175,207)(H,176,211)(H,177,215)(H,178,218)(H,179,210)(H,180,222)(H,181,229)(H,182,228)(H,183,212)(H,184,216)(H,185,201)(H,186,220)(H,187,227)(H,188,219)(H,189,223)(H,190,226)(H,203,204)(H4,152,153,159)(H4,154,155,160)(H4,156,157,161)/t81-,82-,83+,84+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-,117-,118-,119-/m0/s1
Reactome pathway

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.710n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246709
PNG
(Ac-WVTH[Cit]LAGLLS[Cit]SGGVV[hArg]KNFVPTDVGP[2-Nal...)
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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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)=O)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](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C164H248N44O41/c1-82(2)62-109(185-124(216)77-178-136(222)90(17)182-143(229)110(63-83(3)4)191-141(227)106(50-36-58-174-163(170)248)187-147(233)115(70-101-74-172-81-181-101)196-160(246)134(93(20)212)206-158(244)131(88(13)14)202-150(236)114(184-94(21)213)69-100-73-176-103-47-31-30-46-102(100)103)145(231)192-111(64-84(5)6)146(232)199-119(80-210)152(238)188-107(51-37-59-175-164(171)249)142(228)198-118(79-209)138(224)179-75-123(215)177-76-125(217)200-129(86(9)10)157(243)203-130(87(11)12)156(242)189-105(49-33-35-57-173-162(168)169)139(225)186-104(48-32-34-56-165)140(226)194-116(71-122(166)214)148(234)193-112(67-96-42-26-23-27-43-96)149(235)204-132(89(15)16)161(247)208-61-39-53-121(208)154(240)205-133(92(19)211)159(245)197-117(72-127(219)220)151(237)201-128(85(7)8)155(241)180-78-126(218)207-60-38-52-120(207)153(239)195-113(68-97-54-55-98-44-28-29-45-99(98)65-97)144(230)183-91(18)137(223)190-108(135(167)221)66-95-40-24-22-25-41-95/h22-31,40-47,54-55,65,73-74,81-93,104-121,128-134,176,209-212H,32-39,48-53,56-64,66-72,75-80,165H2,1-21H3,(H2,166,214)(H2,167,221)(H,172,181)(H,177,215)(H,178,222)(H,179,224)(H,180,241)(H,182,229)(H,183,230)(H,184,213)(H,185,216)(H,186,225)(H,187,233)(H,188,238)(H,189,242)(H,190,223)(H,191,227)(H,192,231)(H,193,234)(H,194,226)(H,195,239)(H,196,246)(H,197,245)(H,198,228)(H,199,232)(H,200,217)(H,201,237)(H,202,236)(H,203,243)(H,204,235)(H,205,240)(H,206,244)(H,219,220)(H4,168,169,173)(H3,170,174,248)(H3,171,175,249)/t90-,91-,92+,93+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121-,128-,129-,130-,131-,132-,133-,134-/m0/s1
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 0.790n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50025074
PNG
(CHEMBL2372188)
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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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)=O)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](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C163H250N44O41/c1-81(2)61-107(184-123(215)76-177-135(221)89(17)181-142(228)108(62-82(3)4)190-140(226)103(52-38-58-173-162(169)247)186-146(232)113(69-99-73-171-80-180-99)195-159(245)133(92(20)211)205-157(243)130(87(13)14)201-149(235)112(183-93(21)212)67-98-72-175-101-49-33-32-48-100(98)101)144(230)191-109(63-83(5)6)145(231)198-117(79-209)151(237)187-104(53-39-59-174-163(170)248)141(227)197-116(78-208)137(223)178-74-122(214)176-75-124(216)199-128(85(9)10)156(242)202-129(86(11)12)155(241)188-105(51-37-57-172-161(167)168)138(224)185-102(50-35-36-56-164)139(225)193-114(70-121(165)213)147(233)192-111(66-96-45-29-24-30-46-96)148(234)203-131(88(15)16)160(246)206-60-40-55-119(206)152(238)204-132(91(19)210)158(244)196-115(71-126(218)219)150(236)200-127(84(7)8)154(240)179-77-125(217)207-118-54-34-31-47-97(118)68-120(207)153(239)194-110(65-95-43-27-23-28-44-95)143(229)182-90(18)136(222)189-106(134(166)220)64-94-41-25-22-26-42-94/h22-30,32-33,41-46,48-49,72-73,80-92,97,102-120,127-133,175,208-211H,31,34-40,47,50-71,74-79,164H2,1-21H3,(H2,165,213)(H2,166,220)(H,171,180)(H,176,214)(H,177,221)(H,178,223)(H,179,240)(H,181,228)(H,182,229)(H,183,212)(H,184,215)(H,185,224)(H,186,232)(H,187,237)(H,188,241)(H,189,222)(H,190,226)(H,191,230)(H,192,233)(H,193,225)(H,194,239)(H,195,245)(H,196,244)(H,197,227)(H,198,231)(H,199,216)(H,200,236)(H,201,235)(H,202,242)(H,203,234)(H,204,238)(H,205,243)(H,218,219)(H4,167,168,172)(H3,169,173,247)(H3,170,174,248)/t89-,90-,91+,92+,97?,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118?,119-,120-,127-,128-,129-,130-,131-,132-,133-/s2
Reactome pathway

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 0.850n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246698
PNG
(Ac-WVEHRLKGELSRKGGVV[hArg]KNFVPTDVGPFAF-NH2 | CHEM...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC1=O)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](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)CNC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N1
Show InChI InChI=1S/C166H254N48O39/c1-86(2)69-112-148(238)192-104(51-31-35-63-178-125(220)60-58-110(146(236)202-117(75-100-79-176-85-187-100)150(240)194-108(144(234)199-112)54-38-66-181-166(174)175)197-159(249)133(90(9)10)209-153(243)116(189-95(17)217)74-99-78-182-102-48-28-27-47-101(99)102)140(230)185-82-127(222)190-109-57-59-124(219)177-62-34-30-50-103(191-142(232)107(53-37-65-180-165(172)173)195-155(245)120(84-215)206-149(239)113(70-87(3)4)200-145(109)235)139(229)184-80-126(221)183-81-128(223)207-132(89(7)8)161(251)210-134(91(11)12)160(250)196-106(52-32-36-64-179-164(170)171)141(231)193-105(49-29-33-61-167)143(233)203-118(76-123(168)218)151(241)201-115(73-98-45-25-20-26-46-98)152(242)211-135(92(13)14)163(253)214-68-40-56-122(214)157(247)212-136(94(16)216)162(252)205-119(77-130(225)226)154(244)208-131(88(5)6)158(248)186-83-129(224)213-67-39-55-121(213)156(246)204-114(72-97-43-23-19-24-44-97)147(237)188-93(15)138(228)198-111(137(169)227)71-96-41-21-18-22-42-96/h18-28,41-48,78-79,85-94,103-122,131-136,182,215-216H,29-40,49-77,80-84,167H2,1-17H3,(H2,168,218)(H2,169,227)(H,176,187)(H,177,219)(H,178,220)(H,183,221)(H,184,229)(H,185,230)(H,186,248)(H,188,237)(H,189,217)(H,190,222)(H,191,232)(H,192,238)(H,193,231)(H,194,240)(H,195,245)(H,196,250)(H,197,249)(H,198,228)(H,199,234)(H,200,235)(H,201,241)(H,202,236)(H,203,233)(H,204,246)(H,205,252)(H,206,239)(H,207,223)(H,208,244)(H,209,243)(H,210,251)(H,211,242)(H,212,247)(H,225,226)(H4,170,171,179)(H4,172,173,180)(H4,174,175,181)/t93-,94+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,131-,132-,133-,134-,135-,136-/m0/s1
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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PubMed
n/an/a 1n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150396
PNG
(CHEMBL3769439)
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50025097
PNG
(CHEMBL2372192)
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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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)=O)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](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1C2CCCCC2CC1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C168H258N44O41/c1-84(2)63-111(189-128(220)79-182-140(226)92(17)186-147(233)112(64-85(3)4)195-145(231)108(55-41-61-178-167(174)252)191-151(237)117(72-103-76-176-83-185-103)200-164(250)138(95(20)216)210-162(248)135(90(13)14)206-154(240)116(188-96(21)217)69-102-75-180-105-52-34-33-51-104(102)105)149(235)196-113(65-86(5)6)150(236)203-121(82-214)156(242)192-109(56-42-62-179-168(175)253)146(232)202-120(81-213)142(228)183-77-127(219)181-78-129(221)204-133(88(9)10)161(247)207-134(89(11)12)160(246)193-107(54-38-40-60-177-166(172)173)143(229)190-106(53-37-39-59-169)144(230)198-118(73-126(170)218)152(238)197-115(68-99-47-29-24-30-48-99)153(239)208-136(91(15)16)165(251)212-123-58-36-32-50-101(123)71-125(212)158(244)209-137(94(19)215)163(249)201-119(74-131(223)224)155(241)205-132(87(7)8)159(245)184-80-130(222)211-122-57-35-31-49-100(122)70-124(211)157(243)199-114(67-98-45-27-23-28-46-98)148(234)187-93(18)141(227)194-110(139(171)225)66-97-43-25-22-26-44-97/h22-30,33-34,43-48,51-52,75-76,83-95,100-101,106-125,132-138,180,213-216H,31-32,35-42,49-50,53-74,77-82,169H2,1-21H3,(H2,170,218)(H2,171,225)(H,176,185)(H,181,219)(H,182,226)(H,183,228)(H,184,245)(H,186,233)(H,187,234)(H,188,217)(H,189,220)(H,190,229)(H,191,237)(H,192,242)(H,193,246)(H,194,227)(H,195,231)(H,196,235)(H,197,238)(H,198,230)(H,199,243)(H,200,250)(H,201,249)(H,202,232)(H,203,236)(H,204,221)(H,205,241)(H,206,240)(H,207,247)(H,208,239)(H,209,244)(H,210,248)(H,223,224)(H4,172,173,177)(H3,174,178,252)(H3,175,179,253)/t92-,93-,94+,95+,100?,101?,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122?,123?,124-,125?,132-,133-,134-,135-,136-,137-,138-/s2
Reactome pathway

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CHEMBL
PC cid
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Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246697
PNG
(Ac-WVTH[Cit]LAGLLS[Cit]SGGVV[hArg]KNFVPTDVGPFAF-NH...)
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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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)=O)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](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C160H246N44O41/c1-80(2)61-105(181-120(212)75-174-132(218)88(17)178-139(225)106(62-81(3)4)187-137(223)102(51-37-57-170-159(166)244)183-143(229)111(68-97-72-168-79-177-97)192-156(242)130(91(20)208)202-154(240)127(86(13)14)198-146(232)110(180-92(21)209)67-96-71-172-99-48-32-31-47-98(96)99)141(227)188-107(63-82(5)6)142(228)195-115(78-206)148(234)184-103(52-38-58-171-160(167)245)138(224)194-114(77-205)134(220)175-73-119(211)173-74-121(213)196-125(84(9)10)153(239)199-126(85(11)12)152(238)185-101(50-34-36-56-169-158(164)165)135(221)182-100(49-33-35-55-161)136(222)190-112(69-118(162)210)144(230)189-109(66-95-45-29-24-30-46-95)145(231)200-128(87(15)16)157(243)204-60-40-54-117(204)150(236)201-129(90(19)207)155(241)193-113(70-123(215)216)147(233)197-124(83(7)8)151(237)176-76-122(214)203-59-39-53-116(203)149(235)191-108(65-94-43-27-23-28-44-94)140(226)179-89(18)133(219)186-104(131(163)217)64-93-41-25-22-26-42-93/h22-32,41-48,71-72,79-91,100-117,124-130,172,205-208H,33-40,49-70,73-78,161H2,1-21H3,(H2,162,210)(H2,163,217)(H,168,177)(H,173,211)(H,174,218)(H,175,220)(H,176,237)(H,178,225)(H,179,226)(H,180,209)(H,181,212)(H,182,221)(H,183,229)(H,184,234)(H,185,238)(H,186,219)(H,187,223)(H,188,227)(H,189,230)(H,190,222)(H,191,235)(H,192,242)(H,193,241)(H,194,224)(H,195,228)(H,196,213)(H,197,233)(H,198,232)(H,199,239)(H,200,231)(H,201,236)(H,202,240)(H,215,216)(H4,164,165,169)(H3,166,170,244)(H3,167,171,245)/t88-,89-,90+,91+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,124-,125-,126-,127-,128-,129-,130-/m0/s1
Reactome pathway

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246710
PNG
(Ac-WVTH[Cit]LAGLLS[Cit]SGGVV[hArg]KNFVPTDVGP[Bip]A...)
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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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)=O)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](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C166H250N44O41/c1-84(2)65-111(187-126(218)79-180-138(224)92(17)184-145(231)112(66-85(3)4)193-143(229)108(51-37-61-176-165(172)250)189-149(235)117(72-103-76-174-83-183-103)198-162(248)136(95(20)214)208-160(246)133(90(13)14)204-152(238)116(186-96(21)215)71-102-75-178-105-48-32-31-47-104(102)105)147(233)194-113(67-86(5)6)148(234)201-121(82-212)154(240)190-109(52-38-62-177-166(173)251)144(230)200-120(81-211)140(226)181-77-125(217)179-78-127(219)202-131(88(9)10)159(245)205-132(89(11)12)158(244)191-107(50-34-36-60-175-164(170)171)141(227)188-106(49-33-35-59-167)142(228)196-118(73-124(168)216)150(236)195-115(69-98-43-27-23-28-44-98)151(237)206-134(91(15)16)163(249)210-64-40-54-123(210)156(242)207-135(94(19)213)161(247)199-119(74-129(221)222)153(239)203-130(87(7)8)157(243)182-80-128(220)209-63-39-53-122(209)155(241)197-114(70-99-55-57-101(58-56-99)100-45-29-24-30-46-100)146(232)185-93(18)139(225)192-110(137(169)223)68-97-41-25-22-26-42-97/h22-32,41-48,55-58,75-76,83-95,106-123,130-136,178,211-214H,33-40,49-54,59-74,77-82,167H2,1-21H3,(H2,168,216)(H2,169,223)(H,174,183)(H,179,217)(H,180,224)(H,181,226)(H,182,243)(H,184,231)(H,185,232)(H,186,215)(H,187,218)(H,188,227)(H,189,235)(H,190,240)(H,191,244)(H,192,225)(H,193,229)(H,194,233)(H,195,236)(H,196,228)(H,197,241)(H,198,248)(H,199,247)(H,200,230)(H,201,234)(H,202,219)(H,203,239)(H,204,238)(H,205,245)(H,206,237)(H,207,242)(H,208,246)(H,221,222)(H4,170,171,175)(H3,172,176,250)(H3,173,177,251)/t92-,93-,94+,95+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122+,123-,130-,131-,132-,133-,134-,135-,136-/m0/s1
Reactome pathway

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246688
PNG
(Ac-VTHRLAGLLSRSGGVVKNNFVPTDVGPFAF-NH2 | CHEMBL5093...)
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](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(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](CCCN=C(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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C146H230N42O39/c1-71(2)53-92(166-108(197)66-159-120(203)79(17)163-126(209)93(54-72(3)4)171-124(207)89(44-33-49-156-145(151)152)167-130(213)97(59-87-63-155-70-162-87)177-143(226)118(82(20)192)186-140(223)113(75(9)10)165-83(21)193)128(211)172-94(55-73(5)6)129(212)180-102(69-190)135(218)168-90(45-34-50-157-146(153)154)125(208)179-101(68-189)122(205)160-64-107(196)158-65-109(198)181-114(76(11)12)141(224)183-115(77(13)14)139(222)169-88(43-31-32-48-147)123(206)174-98(60-105(148)194)132(215)175-99(61-106(149)195)131(214)173-96(58-86-41-29-24-30-42-86)133(216)184-116(78(15)16)144(227)188-52-36-47-104(188)137(220)185-117(81(19)191)142(225)178-100(62-111(200)201)134(217)182-112(74(7)8)138(221)161-67-110(199)187-51-35-46-103(187)136(219)176-95(57-85-39-27-23-28-40-85)127(210)164-80(18)121(204)170-91(119(150)202)56-84-37-25-22-26-38-84/h22-30,37-42,63,70-82,88-104,112-118,189-192H,31-36,43-62,64-69,147H2,1-21H3,(H2,148,194)(H2,149,195)(H2,150,202)(H,155,162)(H,158,196)(H,159,203)(H,160,205)(H,161,221)(H,163,209)(H,164,210)(H,165,193)(H,166,197)(H,167,213)(H,168,218)(H,169,222)(H,170,204)(H,171,207)(H,172,211)(H,173,214)(H,174,206)(H,175,215)(H,176,219)(H,177,226)(H,178,225)(H,179,208)(H,180,212)(H,181,198)(H,182,217)(H,183,224)(H,184,216)(H,185,220)(H,186,223)(H,200,201)(H4,151,152,156)(H4,153,154,157)/t79-,80-,81+,82+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,112-,113-,114-,115-,116-,117-,118-/m0/s1
Reactome pathway

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
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UniChem

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AffyNet 
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246693
PNG
(Ac-WVTH[Cit]LAGLLS[Cit]SGGVVRKNFVPTDVGPFAF-NH2 | C...)
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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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)=O)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](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C159H244N44O41/c1-79(2)60-104(180-119(211)74-173-131(217)87(17)177-138(224)105(61-80(3)4)186-136(222)100(50-36-56-169-158(165)243)182-142(228)110(67-96-71-167-78-176-96)191-155(241)129(90(20)207)201-153(239)126(85(13)14)197-145(231)109(179-91(21)208)66-95-70-171-98-47-32-31-46-97(95)98)140(226)187-106(62-81(5)6)141(227)194-114(77-205)147(233)183-101(51-37-57-170-159(166)244)137(223)193-113(76-204)133(219)174-72-118(210)172-73-120(212)195-124(83(9)10)152(238)198-125(84(11)12)151(237)184-102(49-35-55-168-157(163)164)134(220)181-99(48-33-34-54-160)135(221)189-111(68-117(161)209)143(229)188-108(65-94-44-29-24-30-45-94)144(230)199-127(86(15)16)156(242)203-59-39-53-116(203)149(235)200-128(89(19)206)154(240)192-112(69-122(214)215)146(232)196-123(82(7)8)150(236)175-75-121(213)202-58-38-52-115(202)148(234)190-107(64-93-42-27-23-28-43-93)139(225)178-88(18)132(218)185-103(130(162)216)63-92-40-25-22-26-41-92/h22-32,40-47,70-71,78-90,99-116,123-129,171,204-207H,33-39,48-69,72-77,160H2,1-21H3,(H2,161,209)(H2,162,216)(H,167,176)(H,172,210)(H,173,217)(H,174,219)(H,175,236)(H,177,224)(H,178,225)(H,179,208)(H,180,211)(H,181,220)(H,182,228)(H,183,233)(H,184,237)(H,185,218)(H,186,222)(H,187,226)(H,188,229)(H,189,221)(H,190,234)(H,191,241)(H,192,240)(H,193,223)(H,194,227)(H,195,212)(H,196,232)(H,197,231)(H,198,238)(H,199,230)(H,200,235)(H,201,239)(H,214,215)(H4,163,164,168)(H3,165,169,243)(H3,166,170,244)/t87-,88-,89+,90+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,123-,124-,125-,126-,127-,128-,129-/m0/s1
Reactome pathway

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246696
PNG
(Ac-WVTH[Cit]LAGLLS[Cit]SGGVV[hArg]KNFVPTDVGP[1-Nal...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C163H251N47O39/c1-83(2)64-108(186-124(218)78-181-136(225)101-49-32-34-58-174-122(216)56-55-106(192-156(245)130(88(11)12)205-150(239)113(185-93(19)214)70-97-74-178-100-47-30-29-46-99(97)100)142(231)197-114(71-98-75-173-82-183-98)147(236)189-103(50-35-59-175-161(167)168)140(229)194-109(65-84(3)4)145(234)187-101)144(233)195-110(66-85(5)6)146(235)202-118(81-212)152(241)190-104(51-36-60-176-162(169)170)141(230)201-117(80-211)137(226)180-76-123(217)179-77-125(219)203-129(87(9)10)158(247)206-131(89(13)14)157(246)191-105(52-37-61-177-163(171)172)138(227)188-102(48-31-33-57-164)139(228)198-115(72-121(165)215)148(237)196-112(69-96-44-27-22-28-45-96)149(238)207-132(90(15)16)160(249)210-63-39-54-120(210)154(243)208-133(92(18)213)159(248)200-116(73-127(221)222)151(240)204-128(86(7)8)155(244)182-79-126(220)209-62-38-53-119(209)153(242)199-111(68-95-42-25-21-26-43-95)143(232)184-91(17)135(224)193-107(134(166)223)67-94-40-23-20-24-41-94/h20-30,40-47,74-75,82-92,101-120,128-133,178,211-213H,31-39,48-73,76-81,164H2,1-19H3,(H2,165,215)(H2,166,223)(H,173,183)(H,174,216)(H,179,217)(H,180,226)(H,181,225)(H,182,244)(H,184,232)(H,185,214)(H,186,218)(H,187,234)(H,188,227)(H,189,236)(H,190,241)(H,191,246)(H,192,245)(H,193,224)(H,194,229)(H,195,233)(H,196,237)(H,197,231)(H,198,228)(H,199,242)(H,200,248)(H,201,230)(H,202,235)(H,203,219)(H,204,240)(H,205,239)(H,206,247)(H,207,238)(H,208,243)(H,221,222)(H4,167,168,175)(H4,169,170,176)(H4,171,172,177)/t91-,92+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,128-,129-,130-,131-,132-,133-/m0/s1
Reactome pathway

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246701
PNG
(Ac-WVTH[Cit]LAGLLS[Cit]SGGVV[hArg]KNFVPTDVG[Thz]FA...)
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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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)=O)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](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C159H244N44O41S/c1-79(2)58-104(180-119(211)72-173-131(217)87(17)177-138(224)105(59-80(3)4)186-136(222)101(50-37-55-169-158(165)243)182-142(228)110(65-96-69-167-77-176-96)191-155(241)129(90(20)207)201-153(239)126(85(13)14)197-145(231)109(179-91(21)208)64-95-68-171-98-47-32-31-46-97(95)98)140(226)187-106(60-81(5)6)141(227)194-114(75-205)147(233)183-102(51-38-56-170-159(166)244)137(223)193-113(74-204)133(219)174-70-118(210)172-71-120(212)195-124(83(9)10)152(238)198-125(84(11)12)151(237)184-100(49-34-36-54-168-157(163)164)134(220)181-99(48-33-35-53-160)135(221)189-111(66-117(161)209)143(229)188-108(63-94-44-29-24-30-45-94)144(230)199-127(86(15)16)156(242)202-57-39-52-115(202)148(234)200-128(89(19)206)154(240)192-112(67-122(214)215)146(232)196-123(82(7)8)150(236)175-73-121(213)203-78-245-76-116(203)149(235)190-107(62-93-42-27-23-28-43-93)139(225)178-88(18)132(218)185-103(130(162)216)61-92-40-25-22-26-41-92/h22-32,40-47,68-69,77,79-90,99-116,123-129,171,204-207H,33-39,48-67,70-76,78,160H2,1-21H3,(H2,161,209)(H2,162,216)(H,167,176)(H,172,210)(H,173,217)(H,174,219)(H,175,236)(H,177,224)(H,178,225)(H,179,208)(H,180,211)(H,181,220)(H,182,228)(H,183,233)(H,184,237)(H,185,218)(H,186,222)(H,187,226)(H,188,229)(H,189,221)(H,190,235)(H,191,241)(H,192,240)(H,193,223)(H,194,227)(H,195,212)(H,196,232)(H,197,231)(H,198,238)(H,199,230)(H,200,234)(H,201,239)(H,214,215)(H4,163,164,168)(H3,165,169,243)(H3,166,170,244)/t87-,88-,89+,90+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,123-,124-,125-,126-,127-,128-,129-/m0/s1
Reactome pathway

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246695
PNG
(Ac-WVTH[hArg]LAGLLS[hArg]SGGVVRKNFVPTDVGPFAF-NH2 |...)
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](CCCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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](CCCCNC(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](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C161H250N46O39/c1-81(2)62-106(184-121(215)76-177-133(221)89(17)181-140(228)107(63-82(3)4)190-137(225)102(51-34-37-57-172-159(165)166)186-144(232)112(69-98-73-171-80-180-98)195-157(245)131(92(20)211)205-155(243)128(87(13)14)201-147(235)111(183-93(21)212)68-97-72-175-100-49-32-31-48-99(97)100)142(230)191-108(64-83(5)6)143(231)198-116(79-209)149(237)187-103(52-35-38-58-173-160(167)168)139(227)197-115(78-208)135(223)178-74-120(214)176-75-122(216)199-126(85(9)10)154(242)202-127(86(11)12)153(241)188-104(53-39-59-174-161(169)170)136(224)185-101(50-33-36-56-162)138(226)193-113(70-119(163)213)145(233)192-110(67-96-46-29-24-30-47-96)146(234)203-129(88(15)16)158(246)207-61-41-55-118(207)151(239)204-130(91(19)210)156(244)196-114(71-124(218)219)148(236)200-125(84(7)8)152(240)179-77-123(217)206-60-40-54-117(206)150(238)194-109(66-95-44-27-23-28-45-95)141(229)182-90(18)134(222)189-105(132(164)220)65-94-42-25-22-26-43-94/h22-32,42-49,72-73,80-92,101-118,125-131,175,208-211H,33-41,50-71,74-79,162H2,1-21H3,(H2,163,213)(H2,164,220)(H,171,180)(H,176,214)(H,177,221)(H,178,223)(H,179,240)(H,181,228)(H,182,229)(H,183,212)(H,184,215)(H,185,224)(H,186,232)(H,187,237)(H,188,241)(H,189,222)(H,190,225)(H,191,230)(H,192,233)(H,193,226)(H,194,238)(H,195,245)(H,196,244)(H,197,227)(H,198,231)(H,199,216)(H,200,236)(H,201,235)(H,202,242)(H,203,234)(H,204,239)(H,205,243)(H,218,219)(H4,165,166,172)(H4,167,168,173)(H4,169,170,174)/t89-,90-,91+,92+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,125-,126-,127-,128-,129-,130-,131-/m0/s1
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50025073
PNG
(CHEMBL2372187)
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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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)=O)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](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C164H252N44O41/c1-82(2)62-108(185-124(216)77-178-136(222)90(17)182-143(229)109(63-83(3)4)191-141(227)105(53-39-59-174-163(170)248)187-147(233)114(70-100-74-172-81-181-100)196-160(246)134(93(20)212)206-158(244)131(88(13)14)202-150(236)113(184-94(21)213)68-99-73-176-102-50-33-32-49-101(99)102)145(231)192-110(64-84(5)6)146(232)199-118(80-210)152(238)188-106(54-40-60-175-164(171)249)142(228)198-117(79-209)138(224)179-75-123(215)177-76-125(217)200-129(86(9)10)157(243)203-130(87(11)12)156(242)189-104(52-36-38-58-173-162(168)169)139(225)186-103(51-35-37-57-165)140(226)194-115(71-122(166)214)148(234)193-112(67-97-46-29-24-30-47-97)149(235)204-132(89(15)16)161(247)207-61-41-56-120(207)153(239)205-133(92(19)211)159(245)197-116(72-127(219)220)151(237)201-128(85(7)8)155(241)180-78-126(218)208-119-55-34-31-48-98(119)69-121(208)154(240)195-111(66-96-44-27-23-28-45-96)144(230)183-91(18)137(223)190-107(135(167)221)65-95-42-25-22-26-43-95/h22-30,32-33,42-47,49-50,73-74,81-93,98,103-121,128-134,176,209-212H,31,34-41,48,51-72,75-80,165H2,1-21H3,(H2,166,214)(H2,167,221)(H,172,181)(H,177,215)(H,178,222)(H,179,224)(H,180,241)(H,182,229)(H,183,230)(H,184,213)(H,185,216)(H,186,225)(H,187,233)(H,188,238)(H,189,242)(H,190,223)(H,191,227)(H,192,231)(H,193,234)(H,194,226)(H,195,240)(H,196,246)(H,197,245)(H,198,228)(H,199,232)(H,200,217)(H,201,237)(H,202,236)(H,203,243)(H,204,235)(H,205,239)(H,206,244)(H,219,220)(H4,168,169,173)(H3,170,174,248)(H3,171,175,249)/t90-,91-,92+,93+,98?,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119?,120-,121-,128-,129-,130-,131-,132-,133-,134-/s2
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246708
PNG
(Ac-WVTH[Cit]LAGLLS[Cit]SGGVV[hArg]KNFVPTDVGP[1-Nal...)
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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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)=O)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](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C164H248N44O41/c1-82(2)63-109(185-124(216)77-178-136(222)90(17)182-143(229)110(64-83(3)4)191-141(227)106(53-37-59-174-163(170)248)187-147(233)115(70-100-74-172-81-181-100)196-160(246)134(93(20)212)206-158(244)131(88(13)14)202-150(236)113(184-94(21)213)69-99-73-176-103-50-31-30-49-102(99)103)145(231)192-111(65-84(5)6)146(232)199-119(80-210)152(238)188-107(54-38-60-175-164(171)249)142(228)198-118(79-209)138(224)179-75-123(215)177-76-125(217)200-129(86(9)10)157(243)203-130(87(11)12)156(242)189-105(52-33-35-58-173-162(168)169)139(225)186-104(51-32-34-57-165)140(226)194-116(71-122(166)214)148(234)193-112(67-96-43-26-23-27-44-96)149(235)204-132(89(15)16)161(247)208-62-40-56-121(208)154(240)205-133(92(19)211)159(245)197-117(72-127(219)220)151(237)201-128(85(7)8)155(241)180-78-126(218)207-61-39-55-120(207)153(239)195-114(68-98-47-36-46-97-45-28-29-48-101(97)98)144(230)183-91(18)137(223)190-108(135(167)221)66-95-41-24-22-25-42-95/h22-31,36,41-50,73-74,81-93,104-121,128-134,176,209-212H,32-35,37-40,51-72,75-80,165H2,1-21H3,(H2,166,214)(H2,167,221)(H,172,181)(H,177,215)(H,178,222)(H,179,224)(H,180,241)(H,182,229)(H,183,230)(H,184,213)(H,185,216)(H,186,225)(H,187,233)(H,188,238)(H,189,242)(H,190,223)(H,191,227)(H,192,231)(H,193,234)(H,194,226)(H,195,239)(H,196,246)(H,197,245)(H,198,228)(H,199,232)(H,200,217)(H,201,237)(H,202,236)(H,203,243)(H,204,235)(H,205,240)(H,206,244)(H,219,220)(H4,168,169,173)(H3,170,174,248)(H3,171,175,249)/t90-,91-,92+,93+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121-,128-,129-,130-,131-,132-,133-,134-/m0/s1
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50224431
PNG
(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F
Show InChI InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CGRP receptor expressed in huamn HEK293 cells coexpressing CLR/RAMP1 assessed as inhibition of CGRP-stimulated cAMP production af...


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150450
PNG
(CHEMBL3769667)
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n/an/a 2.90n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246700
PNG
(Ac-WVTH[Cit]LAGLLS[Cit]SGGVV[hArg]KNFVPTDVG[Aib]FA...)
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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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)=O)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(N)N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C159H246N44O41/c1-79(2)60-104(180-118(211)74-173-130(217)87(17)177-137(224)105(61-80(3)4)186-135(222)101(52-39-57-169-157(165)243)182-141(228)110(67-96-71-167-78-176-96)190-153(240)128(90(20)207)201-151(238)125(85(13)14)197-144(231)109(179-91(21)208)66-95-70-171-98-49-34-33-48-97(95)98)139(226)187-106(62-81(5)6)140(227)193-114(77-205)146(233)183-102(53-40-58-170-158(166)244)136(223)192-113(76-204)132(219)174-72-117(210)172-73-119(212)195-123(83(9)10)150(237)198-124(84(11)12)149(236)184-100(51-36-38-56-168-156(163)164)133(220)181-99(50-35-37-55-160)134(221)189-111(68-116(161)209)142(229)188-107(64-93-44-29-25-30-45-93)143(230)199-126(86(15)16)154(241)203-59-41-54-115(203)147(234)200-127(89(19)206)152(239)191-112(69-121(214)215)145(232)196-122(82(7)8)148(235)175-75-120(213)202-159(22,23)155(242)194-108(65-94-46-31-26-32-47-94)138(225)178-88(18)131(218)185-103(129(162)216)63-92-42-27-24-28-43-92/h24-34,42-49,70-71,78-90,99-115,122-128,171,204-207H,35-41,50-69,72-77,160H2,1-23H3,(H2,161,209)(H2,162,216)(H,167,176)(H,172,210)(H,173,217)(H,174,219)(H,175,235)(H,177,224)(H,178,225)(H,179,208)(H,180,211)(H,181,220)(H,182,228)(H,183,233)(H,184,236)(H,185,218)(H,186,222)(H,187,226)(H,188,229)(H,189,221)(H,190,240)(H,191,239)(H,192,223)(H,193,227)(H,194,242)(H,195,212)(H,196,232)(H,197,231)(H,198,237)(H,199,230)(H,200,234)(H,201,238)(H,202,213)(H,214,215)(H4,163,164,168)(H3,165,169,243)(H3,166,170,244)/t87-,88-,89+,90+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,122-,123-,124-,125-,126-,127-,128-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50025075
PNG
(CHEMBL2372193)
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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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)=O)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](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1/C172H256N44O41/c1-86(2)64-116(193-132(224)81-186-144(230)94(17)190-151(237)117(65-87(3)4)199-149(235)113(51-37-61-182-171(178)256)195-155(241)122(74-108-78-180-85-189-108)204-168(254)142(97(20)220)214-166(252)139(92(13)14)210-158(244)121(192-98(21)221)72-107-77-184-110-48-31-30-47-109(107)110)153(239)200-118(66-88(5)6)154(240)207-126(84-218)160(246)196-114(52-38-62-183-172(179)257)150(236)206-125(83-217)146(232)187-79-131(223)185-80-133(225)208-137(90(9)10)165(251)211-138(91(11)12)164(250)197-112(50-34-36-60-181-170(176)177)147(233)194-111(49-33-35-59-173)148(234)202-123(75-130(174)222)156(242)201-120(71-101-56-58-103-43-26-28-45-105(103)68-101)157(243)212-140(93(15)16)169(255)215-63-39-54-128(215)161(247)213-141(96(19)219)167(253)205-124(76-135(227)228)159(245)209-136(89(7)8)163(249)188-82-134(226)216-127-53-32-29-46-106(127)73-129(216)162(248)203-119(69-99-40-23-22-24-41-99)152(238)191-95(18)145(231)198-115(143(175)229)70-100-55-57-102-42-25-27-44-104(102)67-100/h22-28,30-31,40-45,47-48,55-58,67-68,77-78,85-97,106,111-129,136-142,184,217-220H,29,32-39,46,49-54,59-66,69-76,79-84,173H2,1-21H3,(H2,174,222)(H2,175,229)(H,180,189)(H,185,223)(H,186,230)(H,187,232)(H,188,249)(H,190,237)(H,191,238)(H,192,221)(H,193,224)(H,194,233)(H,195,241)(H,196,246)(H,197,250)(H,198,231)(H,199,235)(H,200,239)(H,201,242)(H,202,234)(H,203,248)(H,204,254)(H,205,253)(H,206,236)(H,207,240)(H,208,225)(H,209,245)(H,210,244)(H,211,251)(H,212,243)(H,213,247)(H,214,252)(H,227,228)(H4,176,177,181)(H3,178,182,256)(H3,179,183,257)/t94-,95-,96+,97+,106?,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127?,128-,129-,136-,137-,138-,139-,140-,141-,142-/s2
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n/an/a 3.5n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50025076
PNG
(CHEMBL2372194)
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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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)=O)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](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C(C)C)C(=O)N1C2CCCCC2CC1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1/C176H262N44O41/c1-88(2)65-119(197-136(228)83-190-148(234)96(17)194-155(241)120(66-89(3)4)203-153(239)116(53-39-63-186-175(182)260)199-159(245)125(76-111-80-184-87-193-111)208-172(258)146(99(20)224)218-170(256)143(94(13)14)214-162(248)124(196-100(21)225)73-110-79-188-113-50-32-31-49-112(110)113)157(243)204-121(67-90(5)6)158(244)211-129(86-222)164(250)200-117(54-40-64-187-176(183)261)154(240)210-128(85-221)150(236)191-81-135(227)189-82-137(229)212-141(92(9)10)169(255)215-142(93(11)12)168(254)201-115(52-36-38-62-185-174(180)181)151(237)198-114(51-35-37-61-177)152(238)206-126(77-134(178)226)160(246)205-123(72-103-58-60-105-44-26-28-46-107(105)69-103)161(247)216-144(95(15)16)173(259)220-131-56-34-30-48-109(131)75-133(220)166(252)217-145(98(19)223)171(257)209-127(78-139(231)232)163(249)213-140(91(7)8)167(253)192-84-138(230)219-130-55-33-29-47-108(130)74-132(219)165(251)207-122(70-101-41-23-22-24-42-101)156(242)195-97(18)149(235)202-118(147(179)233)71-102-57-59-104-43-25-27-45-106(104)68-102/h22-28,31-32,41-46,49-50,57-60,68-69,79-80,87-99,108-109,114-133,140-146,188,221-224H,29-30,33-40,47-48,51-56,61-67,70-78,81-86,177H2,1-21H3,(H2,178,226)(H2,179,233)(H,184,193)(H,189,227)(H,190,234)(H,191,236)(H,192,253)(H,194,241)(H,195,242)(H,196,225)(H,197,228)(H,198,237)(H,199,245)(H,200,250)(H,201,254)(H,202,235)(H,203,239)(H,204,243)(H,205,246)(H,206,238)(H,207,251)(H,208,258)(H,209,257)(H,210,240)(H,211,244)(H,212,229)(H,213,249)(H,214,248)(H,215,255)(H,216,247)(H,217,252)(H,218,256)(H,231,232)(H4,180,181,185)(H3,182,186,260)(H3,183,187,261)/t96-,97-,98+,99+,108?,109?,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130?,131?,132-,133?,140-,141-,142-,143-,144-,145-,146-/s2
Reactome pathway

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n/an/a 3.60n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246704
PNG
(Ac-WVTH[Cit]LAGLLS[Cit]SGGVV[hArg]KNFVPTDVG[Sar]FA...)
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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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)=O)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](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C158H244N44O41/c1-79(2)59-104(179-118(210)73-172-131(217)87(17)176-138(224)105(60-80(3)4)186-136(222)101(51-38-56-168-157(164)242)182-142(228)110(66-96-70-166-78-175-96)190-154(240)129(90(20)206)200-152(238)126(85(13)14)196-145(231)109(178-91(21)207)65-95-69-170-98-48-33-32-47-97(95)98)140(226)187-106(61-81(5)6)141(227)193-114(77-204)147(233)183-102(52-39-57-169-158(165)243)137(223)192-113(76-203)133(219)173-71-117(209)171-72-119(211)194-124(83(9)10)151(237)197-125(84(11)12)150(236)184-100(50-35-37-55-167-156(162)163)134(220)181-99(49-34-36-54-159)135(221)189-111(67-116(160)208)143(229)188-108(64-94-45-30-25-31-46-94)144(230)198-127(86(15)16)155(241)202-58-40-53-115(202)148(234)199-128(89(19)205)153(239)191-112(68-122(214)215)146(232)195-123(82(7)8)149(235)174-74-121(213)201(22)75-120(212)180-107(63-93-43-28-24-29-44-93)139(225)177-88(18)132(218)185-103(130(161)216)62-92-41-26-23-27-42-92/h23-33,41-48,69-70,78-90,99-115,123-129,170,203-206H,34-40,49-68,71-77,159H2,1-22H3,(H2,160,208)(H2,161,216)(H,166,175)(H,171,209)(H,172,217)(H,173,219)(H,174,235)(H,176,224)(H,177,225)(H,178,207)(H,179,210)(H,180,212)(H,181,220)(H,182,228)(H,183,233)(H,184,236)(H,185,218)(H,186,222)(H,187,226)(H,188,229)(H,189,221)(H,190,240)(H,191,239)(H,192,223)(H,193,227)(H,194,211)(H,195,232)(H,196,231)(H,197,237)(H,198,230)(H,199,234)(H,200,238)(H,214,215)(H4,162,163,167)(H3,164,168,242)(H3,165,169,243)/t87-,88-,89+,90+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,123-,124-,125-,126-,127-,128-,129-/m0/s1
Reactome pathway

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n/an/a 3.80n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50025095
PNG
(CHEMBL2372190)
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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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)=O)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](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C162H248N44O41/c1-80(2)60-107(183-121(214)75-176-134(220)88(17)180-141(227)108(61-81(3)4)189-139(225)104(50-36-56-172-161(168)246)185-144(230)112(68-99-72-170-79-179-99)193-157(243)131(91(20)210)203-155(241)128(86(13)14)199-147(233)111(182-92(21)211)67-98-71-174-101-47-31-30-46-100(98)101)142(228)190-109(62-82(5)6)143(229)196-116(78-208)149(235)186-105(51-37-57-173-162(169)247)140(226)195-115(77-207)136(222)177-73-120(213)175-74-122(215)197-126(84(9)10)154(240)200-127(85(11)12)153(239)187-103(49-33-35-55-171-160(166)167)137(223)184-102(48-32-34-54-163)138(224)192-113(69-119(164)212)145(231)191-110(64-94-42-26-23-27-43-94)146(232)201-129(87(15)16)159(245)206-59-39-53-118(206)151(237)202-130(90(19)209)156(242)194-114(70-124(217)218)148(234)198-125(83(7)8)152(238)178-76-123(216)205-58-38-52-117(205)150(236)204-132(97-65-95-44-28-29-45-96(95)66-97)158(244)181-89(18)135(221)188-106(133(165)219)63-93-40-24-22-25-41-93/h22-31,40-47,71-72,79-91,97,102-118,125-132,174,207-210H,32-39,48-70,73-78,163H2,1-21H3,(H2,164,212)(H2,165,219)(H,170,179)(H,175,213)(H,176,220)(H,177,222)(H,178,238)(H,180,227)(H,181,244)(H,182,211)(H,183,214)(H,184,223)(H,185,230)(H,186,235)(H,187,239)(H,188,221)(H,189,225)(H,190,228)(H,191,231)(H,192,224)(H,193,243)(H,194,242)(H,195,226)(H,196,229)(H,197,215)(H,198,234)(H,199,233)(H,200,240)(H,201,232)(H,202,237)(H,203,241)(H,204,236)(H,217,218)(H4,166,167,171)(H3,168,172,246)(H3,169,173,247)/t88-,89-,90+,91+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,125-,126-,127-,128-,129-,130-,131-,132-/s2
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n/an/a 4.20n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150456
PNG
(CHEMBL3770964)
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n/an/a 4.30n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50000743
PNG
(CHEMBL525571 | [Thr-His-Arg-Leu-Ala-Gly-Leu-Leu-Se...)
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](N)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
Show InChI InChI=1S/C139H230N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-111,184-188H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246699
PNG
(Ac-WVTH[Cit]LAGLLS[Cit]SGGVV[hArg]KNFVPTDVG[Hyp]FA...)
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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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)=O)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](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C160H246N44O42/c1-79(2)58-105(181-120(213)73-174-132(219)87(17)178-139(226)106(59-80(3)4)187-137(224)102(50-37-55-170-159(166)245)183-143(230)111(65-96-70-168-78-177-96)192-156(243)130(90(20)208)202-154(241)127(85(13)14)198-146(233)110(180-91(21)209)64-95-69-172-99-47-32-31-46-98(95)99)141(228)188-107(60-81(5)6)142(229)195-115(77-206)148(235)184-103(51-38-56-171-160(167)246)138(225)194-114(76-205)134(221)175-71-119(212)173-72-121(214)196-125(83(9)10)153(240)199-126(84(11)12)152(239)185-101(49-34-36-54-169-158(164)165)135(222)182-100(48-33-35-53-161)136(223)190-112(67-118(162)211)144(231)189-109(63-94-44-29-24-30-45-94)145(232)200-128(86(15)16)157(244)203-57-39-52-116(203)149(236)201-129(89(19)207)155(242)193-113(68-123(216)217)147(234)197-124(82(7)8)151(238)176-74-122(215)204-75-97(210)66-117(204)150(237)191-108(62-93-42-27-23-28-43-93)140(227)179-88(18)133(220)186-104(131(163)218)61-92-40-25-22-26-41-92/h22-32,40-47,69-70,78-90,97,100-117,124-130,172,205-208,210H,33-39,48-68,71-77,161H2,1-21H3,(H2,162,211)(H2,163,218)(H,168,177)(H,173,212)(H,174,219)(H,175,221)(H,176,238)(H,178,226)(H,179,227)(H,180,209)(H,181,213)(H,182,222)(H,183,230)(H,184,235)(H,185,239)(H,186,220)(H,187,224)(H,188,228)(H,189,231)(H,190,223)(H,191,237)(H,192,243)(H,193,242)(H,194,225)(H,195,229)(H,196,214)(H,197,234)(H,198,233)(H,199,240)(H,200,232)(H,201,236)(H,202,241)(H,216,217)(H4,164,165,169)(H3,166,170,245)(H3,167,171,246)/t87-,88-,89+,90+,97+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,124-,125-,126-,127-,128-,129-,130-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150454
PNG
(CHEMBL3770165)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150288
PNG
(CHEMBL3769848)
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n/an/a 8.90n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150447
PNG
(CHEMBL3770217)
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n/an/a 9.80n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50246705
PNG
(Ac-WVTH[Cit]LAGLLS[Cit]SGGVV[hArg]KNFVPTDVG[Pip]FA...)
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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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)=O)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](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NC1(CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C161H249N45O41/c1-81(2)62-106(183-120(214)76-176-132(220)89(17)180-139(227)107(63-82(3)4)189-137(225)103(50-37-57-172-159(167)246)185-143(231)112(69-98-73-170-80-179-98)193-155(243)130(92(20)210)204-153(241)127(87(13)14)200-146(234)111(182-93(21)211)68-97-72-174-100-47-32-31-46-99(97)100)141(229)190-108(64-83(5)6)142(230)196-116(79-208)148(236)186-104(51-38-58-173-160(168)247)138(226)195-115(78-207)134(222)177-74-119(213)175-75-121(215)198-125(85(9)10)152(240)201-126(86(11)12)151(239)187-102(49-34-36-56-171-158(165)166)135(223)184-101(48-33-35-55-162)136(224)192-113(70-118(163)212)144(232)191-109(66-95-42-27-23-28-43-95)145(233)202-128(88(15)16)156(244)206-61-39-52-117(206)149(237)203-129(91(19)209)154(242)194-114(71-123(217)218)147(235)199-124(84(7)8)150(238)178-77-122(216)205-161(53-59-169-60-54-161)157(245)197-110(67-96-44-29-24-30-45-96)140(228)181-90(18)133(221)188-105(131(164)219)65-94-40-25-22-26-41-94/h22-32,40-47,72-73,80-92,101-117,124-130,169,174,207-210H,33-39,48-71,74-79,162H2,1-21H3,(H2,163,212)(H2,164,219)(H,170,179)(H,175,213)(H,176,220)(H,177,222)(H,178,238)(H,180,227)(H,181,228)(H,182,211)(H,183,214)(H,184,223)(H,185,231)(H,186,236)(H,187,239)(H,188,221)(H,189,225)(H,190,229)(H,191,232)(H,192,224)(H,193,243)(H,194,242)(H,195,226)(H,196,230)(H,197,245)(H,198,215)(H,199,235)(H,200,234)(H,201,240)(H,202,233)(H,203,237)(H,204,241)(H,205,216)(H,217,218)(H4,165,166,171)(H3,167,172,246)(H3,168,173,247)/t89-,90-,91+,92+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,124-,125-,126-,127-,128-,129-,130-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150388
PNG
(CHEMBL3771271)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150455
PNG
(CHEMBL3769749)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150401
PNG
(CHEMBL3770508)
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150465
PNG
(CHEMBL3770364)
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150392
PNG
(CHEMBL3771103)
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150394
PNG
(CHEMBL3770407)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150391
PNG
(CHEMBL3769428)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150395
PNG
(CHEMBL3769533)
Reactome pathway

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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150387
PNG
(CHEMBL3770378)
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150467
PNG
(CHEMBL3769892)
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50025092
PNG
(CHEMBL2372189)
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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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)=O)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](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C167H249N45O41/c1-83(2)62-111(189-127(220)77-181-139(226)91(17)185-146(233)112(63-84(3)4)195-144(231)108(54-39-59-177-166(173)252)191-150(237)117(69-100-74-175-82-184-100)200-163(250)137(94(20)216)210-161(248)134(89(13)14)206-153(240)116(187-95(21)217)68-99-73-179-104-50-33-31-48-101(99)104)148(235)196-113(64-85(5)6)149(236)203-122(81-214)155(242)192-109(55-40-60-178-167(174)253)145(232)202-121(80-213)141(228)182-75-126(219)180-76-128(221)204-132(87(9)10)160(247)207-133(88(11)12)159(246)193-107(53-36-38-58-176-165(171)172)142(229)190-106(52-35-37-57-168)143(230)198-118(71-125(169)218)151(238)197-115(67-98-46-29-24-30-47-98)152(239)208-135(90(15)16)164(251)211-61-41-56-123(211)156(243)209-136(93(19)215)162(249)201-119(72-130(223)224)154(241)205-131(86(7)8)158(245)183-78-129(222)212-79-120-103(102-49-32-34-51-105(102)188-120)70-124(212)157(244)199-114(66-97-44-27-23-28-45-97)147(234)186-92(18)140(227)194-110(138(170)225)65-96-42-25-22-26-43-96/h22-34,42-51,73-74,82-94,106-119,121-124,131-137,179,188,213-216H,35-41,52-72,75-81,168H2,1-21H3,(H2,169,218)(H2,170,225)(H,175,184)(H,180,219)(H,181,226)(H,182,228)(H,183,245)(H,185,233)(H,186,234)(H,187,217)(H,189,220)(H,190,229)(H,191,237)(H,192,242)(H,193,246)(H,194,227)(H,195,231)(H,196,235)(H,197,238)(H,198,230)(H,199,244)(H,200,250)(H,201,249)(H,202,232)(H,203,236)(H,204,221)(H,205,241)(H,206,240)(H,207,247)(H,208,239)(H,209,243)(H,210,248)(H,223,224)(H4,171,172,176)(H3,173,177,252)(H3,174,178,253)/t91-,92-,93+,94+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,121-,122-,123-,124-,131-,132-,133-,134-,135-,136-,137-/s2
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n/an/a 30n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150386
PNG
(CHEMBL3769654)
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n/an/a 33n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50150451
PNG
(CHEMBL3770496)
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n/an/a 34n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
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