Found 43 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246690
(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 |r,wU:184.188,213.219,228.235,50.51,92.94,117.119,131.133,78.80,36.43,151.153,185.191,199.203,17.21,wD:12.12,170.173,180.185,54.67,72.76,103.105,46.47,4.4,124.126,142.144,86.88,159.161,191.195,25.32,217.222,233.239,(-1.99,-10.08,;-2,-8.53,;-.67,-7.76,;-3.34,-7.77,;-3.35,-6.23,;-4.7,-5.49,;-6.03,-6.26,;-6.03,-7.8,;-7.37,-5.5,;-8.7,-6.27,;-10.01,-5.47,;-10.02,-3.93,;-11.35,-6.25,;-11.34,-7.78,;-12.7,-5.52,;-14.04,-6.29,;-14.02,-7.82,;-15.37,-5.52,;-15.37,-3.98,;-14.05,-3.21,;-14.05,-1.67,;-12.71,-3.97,;-16.7,-6.3,;-18.03,-5.53,;-18.03,-3.99,;-19.36,-6.31,;-19.36,-7.85,;-18.02,-8.62,;-18.01,-10.15,;-16.69,-10.95,;-16.65,-12.49,;-18.01,-13.29,;-15.34,-13.27,;-20.71,-5.56,;-22.04,-6.33,;-22.03,-7.87,;-23.38,-5.56,;-23.38,-4.02,;-22.06,-3.24,;-20.66,-3.86,;-19.63,-2.72,;-20.4,-1.39,;-21.91,-1.71,;-24.71,-6.35,;-26.03,-5.55,;-26.05,-4.01,;-27.38,-6.33,;-28.73,-5.59,;-30.06,-6.36,;-30.07,-7.9,;-31.41,-5.6,;-32.72,-6.38,;-34.07,-5.62,;-34.08,-4.08,;-35.38,-6.39,;-35.38,-7.93,;-36.7,-8.71,;-38.12,-8.09,;-39.12,-9.24,;-38.34,-10.57,;-38.8,-12.02,;-37.77,-13.15,;-36.27,-12.82,;-35.82,-11.35,;-36.86,-10.23,;-36.73,-5.63,;-36.74,-4.1,;-35.41,-3.32,;-38.07,-3.34,;-31.42,-4.06,;-30.09,-3.28,;-32.75,-3.3,;-27.36,-7.87,;-28.7,-8.65,;-26.07,-8.66,;-2.01,-5.45,;-2.02,-3.91,;-.7,-6.25,;.63,-5.47,;.63,-3.92,;1.96,-3.15,;1.95,-1.6,;3.29,-3.91,;1.98,-6.23,;1.98,-7.77,;3.31,-5.46,;4.66,-6.2,;4.67,-7.74,;5.99,-8.52,;5.99,-5.42,;5.98,-3.89,;7.31,-6.21,;8.64,-5.44,;8.63,-3.9,;9.96,-3.12,;9.95,-1.58,;11.29,-.81,;11.29,.73,;9.95,1.48,;12.62,1.5,;9.98,-6.21,;9.98,-7.74,;11.3,-5.43,;12.66,-6.16,;12.67,-7.7,;13.96,-8.48,;13.99,-5.38,;13.98,-3.84,;15.31,-6.18,;16.64,-5.4,;17.98,-6.16,;17.99,-7.7,;19.31,-5.39,;20.66,-6.13,;21.99,-5.35,;21.99,-3.81,;23.31,-6.14,;24.64,-5.36,;24.63,-3.83,;25.97,-3.05,;23.29,-3.06,;25.98,-6.13,;25.98,-7.68,;27.31,-5.36,;28.67,-6.1,;28.68,-7.63,;30.01,-8.4,;27.35,-8.41,;30,-5.32,;29.99,-3.78,;31.32,-6.11,;32.65,-5.33,;32.64,-3.79,;33.97,-3.02,;33.96,-1.48,;35.29,-.7,;35.28,.84,;36.6,1.61,;33.94,1.6,;33.98,-6.1,;33.99,-7.64,;35.32,-5.33,;36.67,-6.07,;36.67,-7.61,;38.01,-8.37,;38.02,-9.91,;39.36,-10.66,;39.37,-12.2,;38,-5.29,;38,-3.75,;39.32,-6.08,;40.65,-5.3,;40.64,-3.76,;41.96,-2.98,;43.29,-3.77,;41.96,-1.44,;41.98,-6.06,;41.99,-7.6,;43.32,-5.29,;44.66,-6.04,;44.66,-7.58,;46,-8.35,;47.35,-7.58,;48.67,-8.34,;48.67,-9.87,;47.34,-10.63,;46,-9.87,;46,-5.27,;46,-3.73,;47.33,-6.04,;48.67,-5.27,;50,-6.04,;50,-7.58,;51.34,-5.27,;48.67,-3.73,;47.33,-2.96,;50.04,-3.03,;51.41,-3.72,;52.49,-2.63,;51.81,-1.25,;50.28,-1.5,;49.19,-.41,;47.7,-.81,;49.59,1.08,;48.5,2.17,;47.01,1.77,;46.61,.28,;45.91,2.85,;48.9,3.66,;50.38,4.06,;47.8,4.73,;48.12,6.24,;49.59,6.72,;49.9,8.24,;48.74,9.25,;51.37,8.71,;46.97,7.26,;45.51,6.78,;47.29,8.77,;46.14,9.8,;44.68,9.33,;43.53,10.35,;44.36,7.81,;46.46,11.31,;47.92,11.78,;45.31,12.33,;45.62,13.84,;44.48,14.88,;43.01,14.39,;44.72,16.23,;43.66,17.34,;44.4,18.68,;45.91,18.4,;46.12,16.86,;47.47,16.15,;47.51,14.6,;48.79,16.95,;50.14,16.21,;50.19,14.68,;51.53,13.94,;52.84,14.73,;54.2,14.01,;54.24,12.47,;52.93,11.66,;51.58,12.4,;51.45,17.02,;51.41,18.56,;52.81,16.29,;54.12,17.09,;54.07,18.63,;55.47,16.36,;55.52,14.81,;56.78,17.16,;58.13,16.42,;58.17,14.88,;59.53,14.15,;60.84,14.96,;62.19,14.22,;62.23,12.69,;60.92,11.88,;59.58,12.62,;59.45,17.23,;60.8,16.49,;59.4,18.78,)| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246694
(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 |r,wU:180.184,209.215,224.231,48.49,113.115,127.129,76.78,147.149,181.187,34.41,17.21,195.199,90.92,wD:12.12,166.169,176.181,52.65,70.74,4.4,120.122,138.140,44.45,84.86,25.30,155.157,187.191,213.218,99.101,229.235,(-.71,-8.36,;-.72,-6.81,;.62,-6.04,;-2.06,-6.06,;-2.07,-4.51,;-3.41,-3.76,;-4.74,-4.54,;-4.74,-6.08,;-6.07,-3.78,;-7.41,-4.55,;-8.73,-3.76,;-8.74,-2.21,;-10.06,-4.53,;-10.05,-6.07,;-11.4,-3.77,;-12.73,-4.54,;-12.72,-6.08,;-14.06,-3.77,;-14.07,-2.24,;-12.74,-1.46,;-12.74,.08,;-11.39,-2.22,;-15.39,-4.55,;-16.72,-3.77,;-16.72,-2.23,;-18.05,-4.55,;-18.05,-6.09,;-16.7,-6.86,;-16.7,-8.39,;-15.4,-9.17,;-18.02,-9.16,;-19.4,-3.81,;-20.73,-4.59,;-20.72,-6.12,;-22.07,-3.82,;-22.07,-2.28,;-20.75,-1.5,;-19.35,-2.12,;-18.32,-.98,;-19.09,.35,;-20.59,.03,;-23.4,-4.6,;-24.73,-3.81,;-24.75,-2.27,;-26.08,-4.58,;-27.42,-3.84,;-28.75,-4.62,;-28.75,-6.16,;-30.1,-3.86,;-31.41,-4.64,;-32.76,-3.88,;-32.76,-2.34,;-34.07,-4.65,;-34.06,-6.19,;-35.39,-6.97,;-36.8,-6.35,;-37.81,-7.5,;-37.03,-8.83,;-37.49,-10.28,;-36.46,-11.41,;-34.96,-11.08,;-34.51,-9.61,;-35.55,-8.49,;-35.42,-3.9,;-35.42,-2.36,;-34.09,-1.58,;-36.75,-1.6,;-30.1,-2.32,;-28.77,-1.54,;-31.43,-1.56,;-26.05,-6.13,;-27.39,-6.9,;-24.76,-6.9,;-.73,-3.74,;-.74,-2.19,;.59,-4.52,;1.93,-3.75,;1.93,-2.21,;3.25,-1.43,;3.25,.11,;4.59,-2.2,;3.27,-4.51,;3.27,-6.05,;4.6,-3.73,;5.95,-4.48,;5.96,-6.02,;7.28,-6.8,;7.27,-3.7,;7.27,-2.17,;8.61,-4.47,;9.94,-3.69,;9.93,-2.15,;11.26,-1.37,;11.25,.17,;12.59,.93,;9.92,.93,;11.27,-4.46,;11.28,-5.99,;12.6,-3.68,;13.95,-4.44,;13.96,-5.98,;15.26,-6.77,;15.28,-3.66,;15.27,-2.13,;16.6,-4.45,;17.93,-3.68,;19.27,-4.45,;19.28,-5.98,;20.6,-3.67,;21.95,-4.41,;23.28,-3.64,;23.27,-2.09,;24.6,-4.42,;25.93,-3.65,;25.92,-2.12,;27.26,-1.34,;24.59,-1.35,;27.27,-4.42,;27.27,-5.96,;28.6,-3.64,;29.95,-4.38,;29.96,-5.92,;31.3,-6.68,;28.63,-6.69,;31.29,-3.6,;31.28,-2.06,;32.61,-4.39,;33.94,-3.62,;33.94,-2.08,;35.27,-1.3,;35.26,.24,;36.58,1.01,;36.57,2.55,;37.9,3.33,;35.24,3.31,;35.28,-4.38,;35.29,-5.93,;36.61,-3.61,;37.96,-4.35,;37.96,-5.89,;39.3,-6.65,;39.31,-8.19,;40.64,-8.95,;40.65,-10.48,;39.28,-3.58,;39.28,-2.03,;40.61,-4.36,;41.94,-3.59,;41.93,-2.04,;43.25,-1.27,;44.58,-2.05,;43.25,.28,;43.27,-4.35,;43.28,-5.89,;44.61,-3.58,;45.95,-4.33,;45.95,-5.87,;47.29,-6.64,;48.64,-5.87,;49.96,-6.63,;49.96,-8.16,;48.63,-8.92,;47.29,-8.16,;47.29,-3.56,;47.29,-2.02,;48.62,-4.33,;49.96,-3.56,;51.29,-4.33,;51.29,-5.87,;52.63,-3.56,;49.96,-2.02,;48.62,-1.25,;51.33,-1.32,;52.7,-2.01,;53.78,-.92,;53.1,.46,;51.57,.21,;50.48,1.3,;48.99,.9,;50.88,2.79,;49.78,3.88,;48.3,3.48,;47.9,1.99,;47.2,4.56,;50.19,5.37,;51.67,5.77,;49.09,6.45,;49.41,7.96,;50.87,8.44,;51.19,9.95,;50.03,10.97,;52.65,10.42,;48.26,8.98,;46.8,8.5,;48.57,10.49,;47.42,11.51,;45.96,11.05,;44.81,12.07,;45.64,9.53,;47.75,13.03,;49.2,13.5,;46.59,14.05,;46.91,15.55,;45.77,16.59,;44.3,16.11,;46,17.95,;44.95,19.06,;45.69,20.4,;47.2,20.12,;47.41,18.58,;48.76,17.86,;48.8,16.32,;50.07,18.67,;51.42,17.93,;51.47,16.4,;52.82,15.66,;54.13,16.45,;55.49,15.73,;55.53,14.19,;54.22,13.38,;52.87,14.13,;52.74,18.74,;52.7,20.28,;54.09,18.01,;55.41,18.81,;55.36,20.35,;56.75,18.08,;56.8,16.53,;58.07,18.88,;59.42,18.14,;59.46,16.6,;60.81,15.87,;62.13,16.68,;63.48,15.94,;63.52,14.41,;62.2,13.6,;60.86,14.34,;60.73,18.95,;62.08,18.21,;60.69,20.49,)| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246691
(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 |r| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246692
(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 |r,wU:184.188,213.219,228.235,50.51,117.119,131.133,78.80,151.153,36.43,185.191,199.203,17.21,92.94,wD:12.12,170.173,180.185,54.67,103.105,72.76,4.4,124.126,46.47,142.144,86.88,159.161,25.32,191.195,217.222,233.239,(17.62,-10.77,;17.61,-9.23,;18.94,-8.45,;16.27,-8.47,;16.26,-6.93,;14.91,-6.18,;13.58,-6.95,;13.58,-8.49,;12.24,-6.19,;10.91,-6.97,;9.6,-6.17,;9.59,-4.63,;8.26,-6.95,;8.27,-8.48,;6.91,-6.21,;5.58,-6.98,;5.58,-8.51,;4.24,-6.21,;4.23,-4.68,;5.56,-3.9,;5.56,-2.36,;6.9,-4.66,;2.91,-6.98,;1.58,-6.21,;1.57,-4.67,;.25,-6.98,;.25,-8.53,;1.59,-9.29,;1.6,-10.83,;2.91,-11.62,;2.95,-13.16,;1.59,-13.96,;4.29,-13.92,;-1.1,-6.24,;-2.44,-7.01,;-2.43,-8.55,;-3.77,-6.25,;-3.77,-4.7,;-2.45,-3.93,;-1.05,-4.54,;-.02,-3.4,;-.79,-2.08,;-2.29,-2.4,;-5.1,-7.03,;-6.42,-6.23,;-6.43,-4.69,;-7.75,-7.01,;-9.11,-6.27,;-10.44,-7.05,;-10.44,-8.59,;-11.79,-6.29,;-13.1,-7.06,;-14.45,-6.31,;-14.45,-4.77,;-15.76,-7.08,;-15.75,-8.62,;-17.08,-9.39,;-18.49,-8.78,;-19.5,-9.93,;-18.72,-11.25,;-19.18,-12.71,;-18.15,-13.84,;-16.65,-13.5,;-16.2,-12.04,;-17.24,-10.92,;-17.11,-6.32,;-17.11,-4.79,;-15.78,-4.01,;-18.44,-4.03,;-11.79,-4.75,;-10.46,-3.97,;-13.13,-3.99,;-7.74,-8.55,;-9.07,-9.33,;-6.44,-9.34,;17.6,-6.15,;17.59,-4.61,;18.92,-6.94,;20.25,-6.16,;20.24,-4.62,;21.57,-3.84,;21.57,-2.3,;22.91,-4.61,;21.59,-6.92,;21.59,-8.47,;22.92,-6.15,;24.27,-6.89,;24.28,-8.43,;25.6,-9.21,;25.6,-6.11,;25.6,-4.58,;26.93,-6.88,;28.26,-6.1,;28.25,-4.56,;29.58,-3.78,;29.58,-2.25,;30.91,-1.48,;30.91,.06,;29.57,.82,;32.25,.83,;29.6,-6.87,;29.61,-8.41,;30.93,-6.1,;32.29,-6.83,;32.3,-8.37,;33.61,-9.17,;33.62,-6.06,;33.61,-4.52,;34.94,-6.85,;36.26,-6.07,;37.6,-6.83,;37.61,-8.37,;38.94,-6.07,;40.29,-6.8,;41.62,-6.03,;41.62,-4.49,;42.94,-6.82,;44.27,-6.04,;44.26,-4.5,;45.59,-3.73,;42.92,-3.74,;45.6,-6.8,;45.61,-8.35,;46.94,-6.04,;48.29,-6.77,;48.3,-8.31,;49.64,-9.08,;46.98,-9.08,;49.63,-6,;49.62,-4.45,;50.95,-6.79,;52.27,-6,;52.27,-4.47,;53.6,-3.69,;53.59,-2.15,;54.91,-1.37,;54.9,.16,;56.23,.94,;53.57,.92,;53.61,-6.77,;53.62,-8.31,;54.95,-6.01,;56.3,-6.74,;56.3,-8.29,;57.64,-9.05,;57.65,-10.58,;58.98,-11.34,;58.99,-12.88,;57.62,-5.97,;57.62,-4.43,;58.94,-6.76,;60.27,-5.98,;60.26,-4.44,;61.59,-3.66,;62.91,-4.45,;61.59,-2.12,;61.61,-6.74,;61.61,-8.28,;62.94,-5.97,;64.29,-6.72,;64.29,-8.26,;65.63,-9.03,;66.98,-8.25,;68.3,-9.02,;68.3,-10.55,;66.96,-11.31,;65.63,-10.55,;65.63,-5.95,;65.63,-4.41,;66.96,-6.72,;68.29,-5.95,;69.62,-6.72,;69.62,-8.26,;70.96,-5.95,;68.29,-4.41,;66.96,-3.64,;69.66,-3.71,;71.04,-4.4,;72.12,-3.31,;71.43,-1.93,;69.9,-2.18,;68.81,-1.08,;67.33,-1.48,;69.22,.4,;68.12,1.49,;66.63,1.09,;66.23,-.4,;65.54,2.16,;68.52,2.98,;70.01,3.38,;67.42,4.05,;67.74,5.56,;69.21,6.04,;69.52,7.56,;68.36,8.57,;70.99,8.03,;66.59,6.58,;65.13,6.1,;66.91,8.09,;65.76,9.12,;64.3,8.65,;63.15,9.68,;63.98,7.13,;66.08,10.64,;67.54,11.1,;64.92,11.65,;65.25,13.16,;64.1,14.2,;62.64,13.71,;64.34,15.55,;63.28,16.66,;64.03,18,;65.53,17.72,;65.74,16.18,;67.09,15.47,;67.13,13.92,;68.41,16.27,;69.76,15.54,;69.81,14,;71.16,13.27,;72.47,14.06,;73.83,13.34,;73.87,11.8,;72.56,10.99,;71.21,11.73,;71.08,16.35,;71.04,17.89,;72.43,15.61,;73.74,16.42,;73.7,17.95,;75.09,15.68,;75.14,14.13,;76.4,16.48,;77.76,15.75,;77.8,14.2,;79.15,13.47,;80.46,14.28,;81.81,13.54,;81.85,12.01,;80.54,11.2,;79.2,11.94,;79.07,16.55,;80.42,15.82,;79.02,18.1,)| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246687
(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 |r| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246689
(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 |r,wU:170.172,199.203,214.219,50.51,78.78,103.103,117.117,64.64,36.43,137.137,171.175,185.187,17.21,wD:12.12,156.157,166.169,58.60,89.89,46.47,4.4,110.110,128.128,72.72,145.145,177.179,25.32,203.206,219.223,(22.87,-44.4,;22.86,-42.86,;24.19,-42.08,;21.52,-42.1,;21.51,-40.56,;20.17,-39.8,;18.84,-40.57,;18.84,-42.11,;17.5,-39.81,;16.18,-40.59,;14.85,-39.8,;14.84,-38.26,;13.52,-40.58,;13.53,-42.11,;12.17,-39.83,;10.84,-40.6,;10.84,-42.13,;9.5,-39.83,;9.49,-38.3,;10.82,-37.52,;10.81,-35.98,;12.16,-38.28,;8.17,-40.6,;6.83,-39.84,;6.83,-38.3,;5.51,-40.61,;5.51,-42.15,;6.85,-42.92,;6.86,-44.45,;8.18,-45.24,;8.19,-46.78,;6.85,-47.57,;9.52,-47.55,;4.16,-39.86,;2.83,-40.63,;2.84,-42.17,;1.49,-39.87,;1.49,-38.32,;2.82,-37.55,;4.21,-38.16,;5.25,-37.03,;4.48,-35.7,;2.97,-36.02,;.17,-40.65,;-1.16,-39.87,;-1.17,-38.32,;-2.49,-40.64,;-3.84,-39.89,;-5.17,-40.66,;-5.17,-42.2,;-6.51,-39.9,;-7.83,-40.68,;-9.17,-39.92,;-10.49,-40.69,;-9.18,-38.38,;-6.52,-38.36,;-5.19,-37.58,;-7.86,-37.59,;-2.48,-42.18,;-3.81,-42.96,;-1.15,-42.96,;22.85,-39.78,;22.84,-38.24,;24.17,-40.56,;25.5,-39.78,;25.5,-38.24,;26.83,-37.47,;26.83,-35.93,;28.16,-38.23,;26.85,-40.54,;26.85,-42.08,;28.18,-39.77,;29.52,-40.52,;29.53,-42.06,;30.86,-42.83,;30.85,-39.74,;30.84,-38.21,;32.18,-40.52,;33.5,-39.74,;33.49,-38.2,;34.83,-37.43,;34.82,-35.89,;36.15,-35.12,;36.15,-33.58,;34.81,-32.82,;37.48,-32.8,;34.84,-40.51,;34.85,-42.04,;36.17,-39.73,;37.52,-40.48,;37.53,-42.02,;38.85,-42.8,;38.85,-39.7,;38.84,-38.17,;40.18,-40.49,;41.51,-39.71,;42.84,-40.47,;42.85,-42.01,;44.18,-39.7,;45.52,-40.45,;46.85,-39.67,;46.85,-38.13,;48.18,-40.45,;49.51,-39.68,;49.5,-38.15,;50.83,-37.37,;48.16,-37.38,;50.84,-40.45,;50.85,-41.99,;52.18,-39.67,;53.52,-40.42,;53.53,-41.95,;54.87,-42.72,;52.21,-42.73,;54.86,-39.64,;54.85,-38.1,;56.18,-40.42,;57.51,-39.65,;57.51,-38.11,;58.84,-37.34,;58.83,-35.79,;60.15,-35.02,;60.14,-33.49,;61.47,-32.71,;58.81,-32.73,;58.85,-40.41,;58.86,-41.95,;60.18,-39.64,;61.53,-40.39,;61.53,-41.93,;62.86,-42.69,;62.88,-44.22,;64.21,-44.98,;64.22,-46.52,;62.85,-39.61,;62.85,-38.07,;64.18,-40.39,;65.51,-39.62,;65.5,-38.08,;66.83,-37.3,;68.16,-38.08,;66.83,-35.76,;66.85,-40.38,;66.85,-41.92,;68.18,-39.6,;69.52,-40.36,;69.52,-41.9,;70.86,-42.67,;72.2,-41.9,;73.52,-42.66,;73.52,-44.19,;72.19,-44.95,;70.86,-44.19,;70.86,-39.59,;70.86,-38.05,;72.19,-40.36,;73.52,-39.59,;74.85,-40.36,;74.85,-41.9,;76.19,-39.59,;73.52,-38.05,;72.19,-37.28,;74.89,-37.35,;76.26,-38.04,;77.34,-36.96,;76.66,-35.58,;75.13,-35.82,;74.04,-34.73,;72.55,-35.13,;74.44,-33.25,;73.35,-32.16,;71.86,-32.56,;71.46,-34.05,;70.77,-31.47,;73.75,-30.67,;75.23,-30.27,;72.65,-29.59,;72.98,-28.08,;74.44,-27.61,;74.75,-26.1,;73.6,-25.08,;76.22,-25.62,;71.83,-27.06,;70.37,-27.54,;72.14,-25.55,;71,-24.53,;69.53,-25,;68.39,-23.98,;69.22,-26.51,;71.32,-23.02,;72.78,-22.54,;70.16,-22,;70.48,-20.49,;69.34,-19.47,;67.87,-19.94,;69.57,-18.11,;68.52,-17,;69.26,-15.65,;70.77,-15.94,;70.98,-17.48,;72.33,-18.2,;72.37,-19.74,;73.64,-17.39,;74.99,-18.13,;75.04,-19.67,;76.39,-20.4,;77.69,-19.6,;79.05,-20.33,;79.09,-21.87,;77.78,-22.67,;76.43,-21.94,;76.31,-17.33,;76.27,-15.79,;77.66,-18.06,;78.98,-17.25,;78.93,-15.72,;80.32,-17.99,;80.37,-19.53,;81.64,-17.18,;82.99,-17.92,;83.03,-19.46,;84.38,-20.18,;85.69,-19.38,;87.04,-20.11,;87.08,-21.65,;85.77,-22.45,;84.43,-21.72,;84.3,-17.11,;85.65,-17.85,;84.26,-15.57,)| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246709
(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 |r| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50025074
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246698
(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 |r| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50025097
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246697
(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 |r| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246710
(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 |r| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246693
(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 |r| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246688
(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 |r,wU:167.169,196.200,211.216,17.21,50.51,103.103,117.117,64.64,134.134,168.172,36.43,182.184,78.78,wD:12.12,153.154,163.166,89.89,110.110,4.4,58.60,126.126,72.72,142.142,174.176,25.32,200.203,46.47,216.220,(21.38,-9.25,;21.37,-7.7,;22.71,-6.93,;20.04,-6.95,;20.03,-5.4,;18.68,-4.65,;17.35,-5.42,;17.35,-6.97,;16.01,-4.67,;14.69,-5.44,;13.36,-4.66,;13.35,-3.11,;12.03,-5.43,;12.04,-6.97,;10.68,-4.68,;9.35,-5.45,;9.35,-6.99,;8.01,-4.69,;8,-3.15,;9.33,-2.38,;9.33,-.83,;10.67,-3.13,;6.68,-5.47,;5.36,-4.69,;5.36,-3.15,;4.03,-5.46,;4.03,-7,;5.37,-7.77,;5.38,-9.3,;6.71,-10.09,;6.73,-11.63,;5.38,-12.41,;8.05,-12.39,;2.69,-4.7,;1.36,-5.48,;1.37,-7.01,;.03,-4.71,;.02,-3.17,;1.35,-2.4,;2.74,-3.01,;3.78,-1.87,;3.01,-.55,;1.5,-.86,;-1.3,-5.49,;-2.63,-4.72,;-2.64,-3.17,;-3.97,-5.49,;-5.3,-4.73,;-6.63,-5.51,;-6.63,-7.05,;-7.97,-4.75,;-9.29,-5.53,;-10.62,-4.75,;-11.95,-5.52,;-10.62,-3.22,;-7.98,-3.21,;-6.64,-2.43,;-9.31,-2.44,;-3.96,-7.03,;-5.28,-7.81,;-2.64,-7.8,;21.36,-4.63,;21.35,-3.09,;22.69,-5.41,;24.02,-4.64,;24.01,-3.09,;25.34,-2.32,;25.34,-.78,;26.68,-3.09,;25.36,-5.4,;25.36,-6.94,;26.69,-4.62,;28.03,-5.36,;28.04,-6.91,;29.36,-7.68,;29.36,-4.59,;29.36,-3.05,;30.7,-5.35,;32.03,-4.58,;32.02,-3.03,;33.35,-2.26,;33.34,-.72,;34.68,.05,;34.68,1.59,;33.33,2.34,;36.01,2.36,;33.36,-5.34,;33.37,-6.88,;34.7,-4.57,;36.05,-5.3,;36.06,-6.85,;37.37,-7.63,;37.38,-4.53,;37.37,-2.99,;38.71,-5.32,;40.03,-4.53,;41.37,-5.3,;41.38,-6.83,;42.7,-4.53,;44.05,-5.28,;45.38,-4.5,;45.37,-2.96,;46.7,-5.28,;48.03,-4.51,;48.02,-2.97,;49.36,-2.2,;46.69,-2.21,;49.37,-5.27,;49.37,-6.82,;50.7,-4.5,;52.05,-5.24,;52.06,-6.77,;53.4,-7.54,;50.73,-7.55,;53.38,-4.46,;53.37,-2.92,;54.71,-5.25,;56.03,-4.47,;56.03,-2.94,;57.36,-2.16,;57.35,-.62,;58.68,.16,;58.65,1.68,;57.37,-5.24,;57.38,-6.78,;58.7,-4.47,;60.05,-5.21,;60.05,-6.75,;61.39,-7.51,;62.7,-6.75,;61.4,-9.05,;61.38,-4.44,;61.38,-2.89,;62.7,-5.22,;64.03,-4.45,;64.02,-2.9,;65.35,-2.13,;66.67,-2.91,;65.35,-.59,;65.37,-5.2,;65.37,-6.75,;66.7,-4.43,;68.04,-5.18,;68.04,-6.72,;69.38,-7.49,;70.73,-6.72,;72.05,-7.48,;72.05,-9.01,;70.72,-9.77,;69.38,-9.01,;69.38,-4.42,;69.38,-2.87,;70.71,-5.18,;72.04,-4.42,;73.37,-5.18,;73.37,-6.72,;74.71,-4.42,;72.04,-2.87,;70.71,-2.11,;73.41,-2.18,;74.79,-2.86,;75.87,-1.78,;75.18,-.4,;73.65,-.65,;72.57,.45,;71.08,.05,;72.97,1.93,;71.87,3.02,;70.39,2.62,;69.99,1.13,;69.29,3.7,;72.27,4.5,;73.76,4.9,;71.18,5.58,;71.5,7.09,;72.96,7.58,;73.28,9.09,;72.12,10.1,;74.74,9.56,;70.35,8.11,;68.89,7.64,;70.66,9.62,;69.51,10.65,;68.05,10.18,;66.91,11.2,;67.74,8.67,;69.84,12.16,;71.29,12.63,;68.68,13.18,;69,14.69,;67.86,15.73,;66.39,15.24,;68.09,17.08,;67.04,18.19,;67.78,19.53,;69.29,19.25,;69.5,17.71,;70.85,17,;70.89,15.45,;72.16,17.8,;73.51,17.06,;73.56,15.53,;74.91,14.79,;76.22,15.59,;77.57,14.86,;77.61,13.33,;76.3,12.52,;74.95,13.26,;74.83,17.87,;74.79,19.41,;76.18,17.14,;77.49,17.94,;77.45,19.48,;78.84,17.2,;78.89,15.66,;80.15,18.01,;81.51,17.27,;81.55,15.73,;82.9,15,;84.21,15.81,;85.56,15.07,;85.6,13.54,;84.29,12.73,;82.95,13.47,;82.82,18.08,;84.17,17.34,;82.77,19.62,)| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246696
(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 |r,wU:189.194,218.225,233.241,26.26,51.53,72.75,83.86,122.125,136.139,156.159,190.197,204.209,97.100,wD:175.179,185.191,30.42,61.64,12.11,91.94,129.132,147.150,22.22,164.167,196.201,222.228,108.111,4.4,238.245,(-3.31,-7.38,;-3.32,-5.84,;-1.98,-5.06,;-4.65,-5.08,;-4.66,-3.53,;-6,-2.77,;-7.33,-3.54,;-7.33,-5.09,;-8.67,-2.78,;-10,-3.56,;-11.32,-2.77,;-11.33,-1.23,;-12.67,-3.55,;-12.66,-5.08,;-13.99,-5.86,;-13.97,-7.4,;-15.3,-8.17,;-16.63,-7.41,;-27.33,-7.45,;-28.66,-8.23,;-27.34,-5.91,;-28.67,-5.15,;-28.69,-3.61,;-30.05,-2.88,;-31.39,-3.64,;-31.39,-5.19,;-32.74,-2.88,;-34.05,-3.66,;-35.4,-2.9,;-35.4,-1.36,;-36.71,-3.68,;-36.71,-5.21,;-38.03,-5.99,;-39.45,-5.38,;-40.46,-6.52,;-39.67,-7.85,;-40.13,-9.31,;-39.1,-10.44,;-37.6,-10.1,;-37.15,-8.64,;-38.19,-7.52,;-38.06,-2.92,;-38.06,-1.38,;-36.74,-.61,;-39.4,-.62,;-32.74,-1.34,;-31.41,-.56,;-34.08,-.58,;-27.34,-2.83,;-27.37,-1.29,;-26.01,-3.61,;-24.69,-2.82,;-24.69,-1.28,;-23.36,-.5,;-21.96,-1.12,;-20.93,.02,;-21.7,1.35,;-23.21,1.03,;-23.34,-3.59,;-23.34,-5.13,;-22.01,-2.81,;-20.68,-3.57,;-20.68,-5.12,;-19.33,-5.89,;-19.34,-7.95,;-18,-8.19,;-17.99,-9.72,;-16.67,-10.49,;-19.31,-10.49,;-19.35,-2.8,;-19.35,-1.26,;-18.01,-3.55,;-16.67,-2.79,;-16.68,-1.25,;-15.35,-.48,;-15.35,1.07,;-14.01,-1.24,;-15.34,-3.56,;-15.33,-5.09,;-14.01,-2.79,;-3.33,-2.76,;-3.34,-1.21,;-2.01,-3.56,;-.69,-2.78,;-.69,-1.24,;.64,-.46,;.64,1.08,;1.98,-1.23,;.66,-3.54,;.66,-5.08,;1.99,-2.76,;3.34,-3.5,;3.35,-5.04,;4.65,-5.84,;4.67,-2.72,;4.66,-1.19,;6,-3.49,;7.33,-2.71,;7.32,-1.17,;8.66,-.39,;8.65,1.14,;9.99,1.9,;9.99,3.44,;8.66,4.18,;11.32,4.2,;8.67,-3.48,;8.68,-5.02,;10,-2.7,;11.34,-3.46,;11.35,-5,;12.64,-5.8,;12.67,-2.68,;12.66,-1.15,;13.98,-3.49,;15.31,-2.7,;16.65,-3.47,;16.65,-5,;17.98,-2.71,;19.34,-3.44,;20.67,-2.66,;20.67,-1.12,;21.99,-3.45,;23.32,-2.67,;23.31,-1.14,;24.64,-.36,;21.97,-.37,;24.65,-3.44,;24.66,-4.98,;25.99,-2.67,;27.34,-3.4,;27.35,-4.94,;28.69,-5.7,;26.02,-5.71,;28.68,-2.62,;28.67,-1.08,;29.99,-3.42,;31.31,-2.63,;31.31,-1.1,;32.64,-.32,;32.63,1.22,;33.96,2,;33.95,3.54,;35.27,4.31,;32.61,4.3,;32.65,-3.4,;32.66,-4.94,;33.99,-2.64,;35.35,-3.37,;35.35,-4.92,;36.69,-5.67,;36.7,-7.21,;38.03,-7.97,;38.04,-9.51,;36.68,-2.59,;36.67,-1.05,;37.99,-3.4,;39.31,-2.6,;39.3,-1.06,;40.63,-.28,;41.96,-1.09,;40.63,1.26,;40.65,-3.36,;40.65,-4.91,;41.99,-2.6,;43.33,-3.35,;43.33,-4.9,;44.67,-5.67,;46.02,-4.89,;47.34,-5.66,;47.34,-7.19,;46.01,-7.95,;44.67,-7.19,;44.67,-2.59,;44.67,-1.04,;46.01,-3.35,;47.34,-2.59,;48.67,-3.35,;48.67,-4.9,;50.01,-2.59,;47.34,-1.04,;46.01,-.27,;48.71,-.34,;50.09,-1.03,;51.17,.06,;50.48,1.43,;48.95,1.19,;47.86,2.28,;46.38,1.88,;48.26,3.77,;47.17,4.86,;45.68,4.46,;45.28,2.97,;44.59,5.53,;47.57,6.35,;49.06,6.75,;46.48,7.43,;46.8,8.94,;48.27,9.42,;48.58,10.94,;47.42,11.95,;50.05,11.41,;45.65,9.96,;44.19,9.49,;45.96,11.47,;44.82,12.5,;43.35,12.03,;42.2,13.06,;43.03,10.52,;45.14,14.02,;46.6,14.49,;43.98,15.03,;44.31,16.54,;43.16,17.58,;41.69,17.09,;43.4,18.94,;42.34,20.04,;43.09,21.39,;44.59,21.1,;44.81,19.56,;46.16,18.85,;46.2,17.31,;47.47,19.66,;48.82,18.92,;48.87,17.39,;50.21,16.65,;51.53,17.44,;52.88,16.72,;52.92,15.18,;51.61,14.37,;50.26,15.11,;50.13,19.73,;50.09,21.28,;51.49,19,;52.8,19.8,;52.76,21.34,;54.15,19.06,;54.2,17.52,;55.47,19.87,;56.82,19.13,;56.86,17.59,;58.21,16.86,;59.53,17.67,;60.88,16.93,;60.92,15.39,;59.6,14.58,;58.26,15.32,;58.13,19.94,;59.48,19.2,;58.09,21.48,)| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246701
(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 |r| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246695
(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 |r| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50025073
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246708
(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 |r| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50025075
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246700
(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 |r,wU:228.234,131.133,78.80,152.154,36.43,185.189,186.192,17.21,200.204,92.94,50.51,117.119,wD:12.12,181.186,124.126,46.47,143.145,86.88,160.162,171.174,25.32,192.196,217.221,103.105,233.238,72.76,54.67,4.4,(-11.43,-11.15,;-11.43,-9.6,;-10.09,-8.82,;-12.77,-8.84,;-12.78,-7.3,;-14.12,-6.53,;-15.44,-7.31,;-15.44,-8.86,;-16.78,-6.56,;-18.11,-7.34,;-19.45,-6.57,;-19.45,-5.03,;-20.77,-7.35,;-20.77,-8.89,;-22.11,-6.59,;-23.45,-7.35,;-23.44,-8.89,;-24.79,-6.58,;-24.79,-5.05,;-23.47,-4.28,;-23.46,-2.73,;-22.13,-5.04,;-26.11,-7.38,;-27.43,-6.59,;-27.43,-5.05,;-28.75,-7.37,;-28.76,-8.91,;-27.42,-9.68,;-27.39,-11.21,;-26.05,-11.97,;-26.07,-13.51,;-27.43,-14.33,;-24.73,-14.27,;-30.11,-6.64,;-31.44,-7.41,;-31.44,-8.95,;-32.79,-6.64,;-32.79,-5.1,;-31.47,-4.32,;-30.06,-4.94,;-29.04,-3.79,;-29.81,-2.47,;-31.32,-2.79,;-34.11,-7.43,;-35.43,-6.63,;-35.46,-5.08,;-36.78,-7.41,;-38.13,-6.67,;-39.47,-7.43,;-39.48,-8.97,;-40.81,-6.67,;-42.14,-7.45,;-43.48,-6.69,;-43.49,-5.15,;-44.8,-7.47,;-44.79,-9,;-46.13,-9.78,;-47.54,-9.16,;-48.56,-10.32,;-47.76,-11.64,;-48.22,-13.09,;-47.19,-14.22,;-45.7,-13.89,;-45.25,-12.42,;-46.27,-11.3,;-46.15,-6.71,;-46.15,-5.17,;-44.81,-4.4,;-47.47,-4.42,;-40.82,-5.12,;-39.5,-4.34,;-42.16,-4.36,;-36.76,-8.95,;-38.11,-9.72,;-35.43,-9.71,;-11.45,-6.52,;-11.46,-4.98,;-10.14,-7.33,;-8.82,-6.53,;-8.83,-4.99,;-7.5,-4.21,;-7.51,-2.67,;-6.16,-4.98,;-7.48,-7.29,;-7.49,-8.83,;-6.13,-6.55,;-4.77,-7.27,;-4.77,-8.81,;-3.44,-9.62,;-3.44,-6.5,;-3.44,-4.96,;-2.12,-7.28,;-.8,-6.48,;-.81,-4.94,;.52,-4.16,;.52,-2.63,;1.86,-1.88,;1.86,-.34,;.53,.37,;3.2,.44,;.54,-7.25,;.55,-8.79,;1.88,-6.49,;3.23,-7.23,;3.23,-8.77,;4.56,-9.56,;4.56,-6.46,;4.53,-4.92,;5.89,-7.23,;7.21,-6.45,;8.56,-7.22,;8.56,-8.75,;9.89,-6.44,;11.23,-7.21,;12.56,-6.43,;12.56,-4.88,;13.9,-7.19,;15.23,-6.41,;15.22,-4.87,;16.55,-4.1,;13.88,-4.1,;16.56,-7.17,;16.57,-8.72,;17.92,-6.44,;19.28,-7.16,;19.28,-8.7,;20.62,-9.46,;17.95,-9.47,;20.61,-6.38,;20.6,-4.83,;21.92,-7.19,;23.23,-6.37,;23.23,-4.84,;24.55,-4.06,;24.54,-2.52,;25.87,-1.74,;25.88,-.2,;27.2,.59,;27.2,2.12,;28.54,-.17,;24.57,-7.14,;24.58,-8.68,;25.92,-6.41,;27.28,-7.12,;27.29,-8.67,;28.63,-9.43,;28.63,-10.97,;29.97,-11.72,;29.98,-13.27,;28.62,-6.35,;28.61,-4.81,;29.92,-7.16,;31.23,-6.35,;31.22,-4.8,;32.55,-4.02,;33.88,-4.85,;32.54,-2.48,;32.57,-7.11,;32.57,-8.65,;33.92,-6.36,;35.27,-7.09,;35.27,-8.64,;36.61,-9.41,;37.96,-8.63,;39.28,-9.4,;39.28,-10.93,;37.95,-11.69,;36.61,-10.93,;36.61,-6.33,;36.61,-4.78,;37.93,-7.13,;39.24,-6.33,;40.58,-7.1,;40.58,-8.65,;41.92,-6.33,;39.24,-4.79,;37.91,-4.02,;40.62,-4.09,;42,-4.78,;43.08,-3.69,;42.39,-2.31,;40.86,-2.56,;39.77,-1.47,;38.28,-1.87,;40.17,.02,;39.11,1.13,;37.62,.73,;37.23,-.76,;36.53,1.78,;39.51,2.62,;41,3.02,;38.4,3.69,;38.71,5.2,;40.17,5.67,;40.49,7.19,;39.33,8.17,;41.96,7.67,;37.56,6.22,;36.1,5.73,;37.89,7.72,;36.76,8.76,;35.29,8.28,;34.15,9.3,;34.98,6.76,;37.08,10.27,;38.54,10.75,;35.91,11.27,;36.22,12.78,;35.12,13.87,;33.64,13.48,;35.52,15.36,;37.01,15.76,;37.41,14.27,;36.61,17.26,;38.5,16.16,;39.58,15.06,;38.92,17.64,;40.4,18.06,;41.49,16.97,;42.97,17.36,;43.38,18.84,;44.87,19.25,;45.95,18.16,;45.55,16.67,;44.07,16.28,;40.8,19.55,;39.71,20.64,;42.29,19.93,;42.69,21.42,;41.59,22.5,;44.17,21.82,;45.26,20.73,;44.58,23.3,;46.07,23.71,;47.16,22.62,;48.64,23.02,;49.05,24.51,;50.53,24.89,;51.62,23.81,;51.21,22.32,;49.73,21.93,;46.46,25.2,;47.96,25.58,;45.37,26.29,)| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50025076
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246704
(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 |r| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50025095
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50000743
(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 |r| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246699
(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 |r| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(RAT) | BDBM50246693
(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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat CGRP1 receptor |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246705
(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 |r| 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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Protein ADM2
(Homo sapiens (Human)) | BDBM50246690
(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 |r,wU:184.188,213.219,228.235,50.51,92.94,117.119,131.133,78.80,36.43,151.153,185.191,199.203,17.21,wD:12.12,170.173,180.185,54.67,72.76,103.105,46.47,4.4,124.126,142.144,86.88,159.161,191.195,25.32,217.222,233.239,(-1.99,-10.08,;-2,-8.53,;-.67,-7.76,;-3.34,-7.77,;-3.35,-6.23,;-4.7,-5.49,;-6.03,-6.26,;-6.03,-7.8,;-7.37,-5.5,;-8.7,-6.27,;-10.01,-5.47,;-10.02,-3.93,;-11.35,-6.25,;-11.34,-7.78,;-12.7,-5.52,;-14.04,-6.29,;-14.02,-7.82,;-15.37,-5.52,;-15.37,-3.98,;-14.05,-3.21,;-14.05,-1.67,;-12.71,-3.97,;-16.7,-6.3,;-18.03,-5.53,;-18.03,-3.99,;-19.36,-6.31,;-19.36,-7.85,;-18.02,-8.62,;-18.01,-10.15,;-16.69,-10.95,;-16.65,-12.49,;-18.01,-13.29,;-15.34,-13.27,;-20.71,-5.56,;-22.04,-6.33,;-22.03,-7.87,;-23.38,-5.56,;-23.38,-4.02,;-22.06,-3.24,;-20.66,-3.86,;-19.63,-2.72,;-20.4,-1.39,;-21.91,-1.71,;-24.71,-6.35,;-26.03,-5.55,;-26.05,-4.01,;-27.38,-6.33,;-28.73,-5.59,;-30.06,-6.36,;-30.07,-7.9,;-31.41,-5.6,;-32.72,-6.38,;-34.07,-5.62,;-34.08,-4.08,;-35.38,-6.39,;-35.38,-7.93,;-36.7,-8.71,;-38.12,-8.09,;-39.12,-9.24,;-38.34,-10.57,;-38.8,-12.02,;-37.77,-13.15,;-36.27,-12.82,;-35.82,-11.35,;-36.86,-10.23,;-36.73,-5.63,;-36.74,-4.1,;-35.41,-3.32,;-38.07,-3.34,;-31.42,-4.06,;-30.09,-3.28,;-32.75,-3.3,;-27.36,-7.87,;-28.7,-8.65,;-26.07,-8.66,;-2.01,-5.45,;-2.02,-3.91,;-.7,-6.25,;.63,-5.47,;.63,-3.92,;1.96,-3.15,;1.95,-1.6,;3.29,-3.91,;1.98,-6.23,;1.98,-7.77,;3.31,-5.46,;4.66,-6.2,;4.67,-7.74,;5.99,-8.52,;5.99,-5.42,;5.98,-3.89,;7.31,-6.21,;8.64,-5.44,;8.63,-3.9,;9.96,-3.12,;9.95,-1.58,;11.29,-.81,;11.29,.73,;9.95,1.48,;12.62,1.5,;9.98,-6.21,;9.98,-7.74,;11.3,-5.43,;12.66,-6.16,;12.67,-7.7,;13.96,-8.48,;13.99,-5.38,;13.98,-3.84,;15.31,-6.18,;16.64,-5.4,;17.98,-6.16,;17.99,-7.7,;19.31,-5.39,;20.66,-6.13,;21.99,-5.35,;21.99,-3.81,;23.31,-6.14,;24.64,-5.36,;24.63,-3.83,;25.97,-3.05,;23.29,-3.06,;25.98,-6.13,;25.98,-7.68,;27.31,-5.36,;28.67,-6.1,;28.68,-7.63,;30.01,-8.4,;27.35,-8.41,;30,-5.32,;29.99,-3.78,;31.32,-6.11,;32.65,-5.33,;32.64,-3.79,;33.97,-3.02,;33.96,-1.48,;35.29,-.7,;35.28,.84,;36.6,1.61,;33.94,1.6,;33.98,-6.1,;33.99,-7.64,;35.32,-5.33,;36.67,-6.07,;36.67,-7.61,;38.01,-8.37,;38.02,-9.91,;39.36,-10.66,;39.37,-12.2,;38,-5.29,;38,-3.75,;39.32,-6.08,;40.65,-5.3,;40.64,-3.76,;41.96,-2.98,;43.29,-3.77,;41.96,-1.44,;41.98,-6.06,;41.99,-7.6,;43.32,-5.29,;44.66,-6.04,;44.66,-7.58,;46,-8.35,;47.35,-7.58,;48.67,-8.34,;48.67,-9.87,;47.34,-10.63,;46,-9.87,;46,-5.27,;46,-3.73,;47.33,-6.04,;48.67,-5.27,;50,-6.04,;50,-7.58,;51.34,-5.27,;48.67,-3.73,;47.33,-2.96,;50.04,-3.03,;51.41,-3.72,;52.49,-2.63,;51.81,-1.25,;50.28,-1.5,;49.19,-.41,;47.7,-.81,;49.59,1.08,;48.5,2.17,;47.01,1.77,;46.61,.28,;45.91,2.85,;48.9,3.66,;50.38,4.06,;47.8,4.73,;48.12,6.24,;49.59,6.72,;49.9,8.24,;48.74,9.25,;51.37,8.71,;46.97,7.26,;45.51,6.78,;47.29,8.77,;46.14,9.8,;44.68,9.33,;43.53,10.35,;44.36,7.81,;46.46,11.31,;47.92,11.78,;45.31,12.33,;45.62,13.84,;44.48,14.88,;43.01,14.39,;44.72,16.23,;43.66,17.34,;44.4,18.68,;45.91,18.4,;46.12,16.86,;47.47,16.15,;47.51,14.6,;48.79,16.95,;50.14,16.21,;50.19,14.68,;51.53,13.94,;52.84,14.73,;54.2,14.01,;54.24,12.47,;52.93,11.66,;51.58,12.4,;51.45,17.02,;51.41,18.56,;52.81,16.29,;54.12,17.09,;54.07,18.63,;55.47,16.36,;55.52,14.81,;56.78,17.16,;58.13,16.42,;58.17,14.88,;59.53,14.15,;60.84,14.96,;62.19,14.22,;62.23,12.69,;60.92,11.88,;59.58,12.62,;59.45,17.23,;60.8,16.49,;59.4,18.78,)| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human adrenomedullin 2 receptor expressed in CHO cells assessed as effect on cAMP accumulation |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(RAT) | BDBM50246695
(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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat CGRP1 receptor |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50025092
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246707
(Ac-WVTH[Cit]LAGLLS[Cit]SGGVV[hArg]KNFVPTDVG[betaPr...)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]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C161H248N44O41/c1-81(2)61-107(183-122(214)76-175-134(220)89(17)179-141(227)108(62-82(3)4)189-139(225)104(52-37-57-171-160(167)245)185-145(231)113(68-98-73-169-80-178-98)193-157(243)132(92(20)209)203-155(241)129(87(13)14)199-148(234)112(181-93(21)210)67-97-72-173-101-49-32-31-48-100(97)101)143(229)190-109(63-83(5)6)144(230)196-117(79-207)150(236)186-105(53-38-58-172-161(168)246)140(226)195-116(78-206)136(222)176-74-121(213)174-75-123(215)197-127(85(9)10)154(240)200-128(86(11)12)153(239)187-103(51-34-36-56-170-159(165)166)137(223)184-102(50-33-35-55-162)138(224)192-114(70-119(163)211)146(232)191-111(66-96-45-29-24-30-46-96)147(233)201-130(88(15)16)158(244)205-60-40-54-118(205)151(237)202-131(91(19)208)156(242)194-115(71-125(217)218)149(235)198-126(84(7)8)152(238)177-77-124(216)204-59-39-47-99(204)69-120(212)182-110(65-95-43-27-23-28-44-95)142(228)180-90(18)135(221)188-106(133(164)219)64-94-41-25-22-26-42-94/h22-32,41-46,48-49,72-73,80-92,99,102-118,126-132,173,206-209H,33-40,47,50-71,74-79,162H2,1-21H3,(H2,163,211)(H2,164,219)(H,169,178)(H,174,213)(H,175,220)(H,176,222)(H,177,238)(H,179,227)(H,180,228)(H,181,210)(H,182,212)(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,197,215)(H,198,235)(H,199,234)(H,200,240)(H,201,233)(H,202,237)(H,203,241)(H,217,218)(H4,165,166,170)(H3,167,171,245)(H3,168,172,246)/t89-,90-,91+,92+,99-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,126-,127-,128-,129-,130-,131-,132-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50025096
(CHEMBL2372191)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)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C163H247N45O41/c1-80(2)60-107(185-123(216)74-177-135(222)88(17)181-142(229)108(61-81(3)4)191-140(227)104(50-36-56-173-162(169)248)187-145(232)112(66-96-71-171-79-180-96)195-158(245)133(91(20)212)205-156(243)130(86(13)14)201-148(235)111(183-92(21)213)65-95-70-175-100-46-30-28-44-97(95)100)143(230)192-109(62-82(5)6)144(231)198-117(78-210)150(237)188-105(51-37-57-174-163(170)249)141(228)197-116(77-209)137(224)178-72-122(215)176-73-124(217)199-128(84(9)10)155(242)202-129(85(11)12)154(241)189-103(49-33-35-55-172-161(167)168)138(225)186-102(48-32-34-54-164)139(226)194-113(68-121(165)214)146(233)193-110(64-94-42-26-23-27-43-94)147(234)203-131(87(15)16)160(247)207-59-38-52-118(207)151(238)204-132(90(19)211)157(244)196-114(69-126(219)220)149(236)200-127(83(7)8)153(240)179-75-125(218)206-58-39-53-119(206)159(246)208-76-115-99(98-45-29-31-47-101(98)184-115)67-120(208)152(239)182-89(18)136(223)190-106(134(166)221)63-93-40-24-22-25-41-93/h22-31,40-47,70-71,79-91,102-114,116-120,127-133,175,184,209-212H,32-39,48-69,72-78,164H2,1-21H3,(H2,165,214)(H2,166,221)(H,171,180)(H,176,215)(H,177,222)(H,178,224)(H,179,240)(H,181,229)(H,182,239)(H,183,213)(H,185,216)(H,186,225)(H,187,232)(H,188,237)(H,189,241)(H,190,223)(H,191,227)(H,192,230)(H,193,233)(H,194,226)(H,195,245)(H,196,244)(H,197,228)(H,198,231)(H,199,217)(H,200,236)(H,201,235)(H,202,242)(H,203,234)(H,204,238)(H,205,243)(H,219,220)(H4,167,168,172)(H3,169,173,248)(H3,170,174,249)/t88-,89-,90+,91+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,116-,117-,118-,119-,120-,127-,128-,129-,130-,131-,132-,133-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246713
(Ac-WVTH[Cit]LAGLLS[Cit]SGGVV[hArg]KNFVPTDVGP[Tic]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)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C161H246N44O41/c1-80(2)60-106(182-121(213)74-175-133(219)88(17)179-140(226)107(61-81(3)4)188-138(224)103(50-36-56-171-160(167)245)184-143(229)111(67-98-71-169-79-178-98)192-156(242)131(91(20)209)202-154(240)128(86(13)14)198-146(232)110(181-92(21)210)65-97-70-173-100-47-31-30-46-99(97)100)141(227)189-108(62-82(5)6)142(228)195-115(78-207)148(234)185-104(51-37-57-172-161(168)246)139(225)194-114(77-206)135(221)176-72-120(212)174-73-122(214)196-126(84(9)10)153(239)199-127(85(11)12)152(238)186-102(49-33-35-55-170-159(165)166)136(222)183-101(48-32-34-54-162)137(223)191-112(68-119(163)211)144(230)190-109(64-94-42-26-23-27-43-94)145(231)200-129(87(15)16)158(244)204-59-38-52-116(204)149(235)201-130(90(19)208)155(241)193-113(69-124(216)217)147(233)197-125(83(7)8)151(237)177-75-123(215)203-58-39-53-117(203)157(243)205-76-96-45-29-28-44-95(96)66-118(205)150(236)180-89(18)134(220)187-105(132(164)218)63-93-40-24-22-25-41-93/h22-31,40-47,70-71,79-91,101-118,125-131,173,206-209H,32-39,48-69,72-78,162H2,1-21H3,(H2,163,211)(H2,164,218)(H,169,178)(H,174,212)(H,175,219)(H,176,221)(H,177,237)(H,179,226)(H,180,236)(H,181,210)(H,182,213)(H,183,222)(H,184,229)(H,185,234)(H,186,238)(H,187,220)(H,188,224)(H,189,227)(H,190,230)(H,191,223)(H,192,242)(H,193,241)(H,194,225)(H,195,228)(H,196,214)(H,197,233)(H,198,232)(H,199,239)(H,200,231)(H,201,235)(H,202,240)(H,216,217)(H4,165,166,170)(H3,167,171,245)(H3,168,172,246)/t88-,89-,90+,91+,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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Protein ADM2
(Homo sapiens (Human)) | BDBM50246693
(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 |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human adrenomedullin 2 receptor expressed in CHO cells assessed as effect on cAMP accumulation |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Protein ADM2
(Homo sapiens (Human)) | BDBM50000743
(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 |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 266 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human adrenomedullin 2 receptor expressed in CHO cells assessed as effect on cAMP accumulation |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Protein ADM2
(Homo sapiens (Human)) | BDBM50246697
(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 |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 318 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human adrenomedullin 2 receptor expressed in CHO cells assessed as effect on cAMP accumulation |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Protein ADM2
(Homo sapiens (Human)) | BDBM50246708
(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 |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 375 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human adrenomedullin 2 receptor expressed in CHO cells assessed as effect on cAMP accumulation |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Protein ADM2
(Homo sapiens (Human)) | BDBM50246709
(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 |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 418 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human adrenomedullin 2 receptor expressed in CHO cells assessed as effect on cAMP accumulation |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Protein ADM2
(Homo sapiens (Human)) | BDBM50025073
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 496 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human adrenomedullin 2 receptor expressed in CHO cells assessed as effect on cAMP accumulation |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50180775
(CHEMBL386763 | FV-Aib-TDVGPFAF | [Aib29,Asp31,Pro3...)Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)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(O)=O |r| Show InChI InChI=1S/C59H81N11O15/c1-32(2)46(67-52(78)41(30-45(73)74)64-55(81)48(35(6)71)68-58(85)59(7,8)69-56(82)47(33(3)4)66-50(76)39(60)27-36-19-12-9-13-20-36)54(80)61-31-44(72)70-26-18-25-43(70)53(79)63-40(28-37-21-14-10-15-22-37)51(77)62-34(5)49(75)65-42(57(83)84)29-38-23-16-11-17-24-38/h9-17,19-24,32-35,39-43,46-48,71H,18,25-31,60H2,1-8H3,(H,61,80)(H,62,77)(H,63,79)(H,64,81)(H,65,75)(H,66,76)(H,67,78)(H,68,85)(H,69,82)(H,73,74)(H,83,84)/t34-,35+,39-,40-,41-,42-,43-,46-,47-,48-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Protein ADM2
(Homo sapiens (Human)) | BDBM50025076
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human adrenomedullin 2 receptor expressed in CHO cells assessed as effect on cAMP accumulation |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50246717
(ACDTATCVTHRLAGLLSRSGGVVKNNFVPTNVGSKAF-amide | CHEM...)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]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)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/C163H267N51O49S2/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)110-71-265-264-70-109(203-130(232)81(17)166)150(252)198-105(61-119(229)230)147(249)211-125(85(21)218)157(259)185-84(20)133(235)210-126(86(22)219)160(262)204-110)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/h25-30,38-41,62,72-88,92-111,120-128,215-221H,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 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/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 |
J Med Chem 51: 7889-97 (2008)
Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C |
More data for this
Ligand-Target Pair | |
Search and Browse
