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SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N[C@@H](Cc1cnc[nH]1)C(O)=O)[C@@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O

InChI Key: InChIKey=WDRMVIMVHHWVBI-STCSGHEYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50324731   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucagon receptor


(Homo sapiens (Human))
BDBM50324731
PNG
(CHEMBL1222074 | HAEGTFTSDVSSYLEGQAAKEFIAWLVKGR)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N[C@@H](Cc1cnc[nH]1)C(O)=O)[C@@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:60.66,47.53,37.38,19.25,4.4,181.184,203.208,105.111,151.154,123.133,167.172,95.99,77.87,wD:69.74,42.43,28.34,8.16,2.2,176.180,195.200,210.215,223.228,113.117,101.103,142.150,134.137,164.169,119.121,89.93,154.156,(69.72,-44.64,;69.72,-46.17,;71.06,-46.95,;72.39,-46.18,;71.06,-48.5,;69.72,-49.27,;68.4,-48.5,;68.4,-46.96,;67.06,-49.27,;67.06,-50.81,;68.4,-51.58,;69.73,-50.8,;71.06,-51.57,;71.07,-53.11,;69.73,-53.88,;68.4,-53.12,;65.72,-48.5,;64.38,-49.27,;64.38,-50.81,;63.05,-48.5,;63.05,-46.96,;64.38,-46.19,;64.38,-44.64,;63.04,-43.88,;65.72,-43.88,;61.72,-49.28,;60.38,-48.51,;60.38,-46.96,;59.05,-49.28,;59.05,-50.82,;60.38,-51.59,;60.38,-53.12,;61.72,-53.9,;61.72,-55.43,;57.72,-48.51,;56.38,-49.28,;56.38,-50.82,;55.04,-48.51,;55.04,-46.97,;53.71,-49.29,;52.38,-48.52,;52.38,-46.97,;51.04,-49.29,;51.04,-50.83,;49.71,-48.52,;48.37,-49.29,;48.37,-50.83,;47.04,-48.52,;47.04,-46.98,;48.37,-46.21,;48.37,-44.67,;47.04,-43.9,;49.71,-43.9,;45.71,-49.29,;44.37,-48.53,;44.37,-46.98,;43.03,-49.3,;41.7,-48.53,;40.37,-49.3,;40.37,-50.84,;39.04,-48.53,;39.04,-46.99,;40.37,-46.22,;40.37,-44.68,;39.03,-43.91,;41.7,-43.91,;37.7,-49.3,;36.37,-48.54,;36.37,-46.99,;35.03,-49.31,;35.03,-50.84,;36.37,-51.62,;36.37,-53.16,;37.7,-50.84,;33.69,-48.55,;32.36,-49.31,;32.36,-50.85,;31.03,-48.55,;31.03,-47,;32.36,-46.23,;33.69,-47,;35.02,-46.22,;35.02,-44.68,;36.36,-43.91,;33.68,-43.92,;32.36,-44.69,;29.69,-49.31,;28.36,-48.55,;28.36,-47.01,;27.03,-49.32,;27.03,-50.85,;28.36,-51.63,;25.69,-48.55,;24.35,-49.32,;24.35,-50.86,;23.02,-48.56,;23.02,-47.01,;24.35,-46.24,;21.68,-49.32,;20.35,-48.56,;20.35,-47.02,;19.01,-49.32,;17.69,-48.56,;16.35,-49.33,;16.35,-50.86,;15.01,-48.57,;15.01,-47.02,;16.35,-46.25,;17.68,-47.02,;16.35,-44.7,;13.68,-49.33,;12.35,-48.57,;12.35,-47.03,;11.01,-49.33,;11.01,-50.88,;12.35,-51.65,;9.68,-48.57,;9.65,-47.04,;10.98,-46.25,;8.32,-46.28,;8.3,-44.73,;6.96,-43.98,;5.63,-44.76,;6.95,-42.44,;8.27,-41.65,;9.62,-42.42,;9.63,-43.96,;10.97,-44.71,;12.29,-43.93,;12.28,-42.39,;10.94,-41.63,;5.61,-41.67,;5.59,-40.13,;6.92,-39.36,;4.24,-39.38,;4.23,-37.84,;2.89,-37.07,;1.56,-37.86,;2.87,-35.53,;1.54,-34.78,;1.52,-33.24,;2.85,-32.45,;.18,-32.48,;-1.15,-33.27,;-1.13,-34.81,;-2.46,-35.59,;-3.8,-34.83,;-2.44,-37.13,;.17,-30.94,;-1.17,-30.19,;-2.5,-30.97,;-1.19,-28.65,;.14,-27.86,;-2.53,-27.88,;-2.56,-26.32,;-1.25,-25.53,;-1.23,-23.99,;-2.59,-23.29,;-2.36,-21.76,;-.82,-21.52,;-.11,-22.9,;-3.91,-25.57,;-3.94,-24.03,;-5.24,-26.37,;2.92,-40.16,;1.58,-39.4,;2.93,-41.7,;6.99,-47.06,;5.65,-46.3,;7,-48.6,;19.01,-50.86,;20.35,-51.64,;17.69,-51.64,;72.39,-49.26,;72.39,-50.8,;73.73,-48.49,;75.05,-49.25,;75.05,-50.8,;76.4,-48.49,;76.4,-46.95,;77.73,-49.25,;79.07,-48.49,;79.07,-46.94,;80.39,-46.17,;81.8,-46.79,;82.83,-45.65,;82.06,-44.32,;82.54,-42.85,;81.5,-41.7,;79.99,-42.03,;79.53,-43.49,;80.55,-44.63,;80.39,-49.25,;80.39,-50.78,;81.73,-48.48,;83.07,-49.24,;83.07,-50.78,;84.4,-51.56,;84.4,-53.1,;85.75,-50.78,;84.4,-48.48,;84.4,-46.94,;85.74,-49.24,;87.07,-48.48,;87.07,-46.93,;88.41,-46.16,;85.74,-46.15,;88.41,-49.24,;88.41,-50.77,;89.74,-48.47,;91.07,-49.23,;91.07,-50.77,;92.41,-51.55,;92.41,-53.09,;93.74,-53.85,;93.74,-55.4,;92.41,-48.47,;92.41,-46.92,;93.74,-49.23,;95.08,-48.47,;96.41,-49.23,;96.41,-50.77,;97.75,-48.47,;99.08,-49.23,;99.08,-50.76,;100.42,-51.54,;100.42,-53.08,;101.75,-53.84,;101.75,-55.38,;100.42,-56.16,;103.09,-56.16,;100.42,-48.45,;101.75,-49.22,;100.42,-46.91,)|
Show InChI InChI=1S/C149H225N39O46/c1-17-76(10)119(145(230)166-80(14)126(211)174-103(60-86-63-158-90-36-25-24-35-89(86)90)135(220)176-99(56-73(4)5)136(221)185-117(74(6)7)143(228)173-92(37-26-28-52-150)127(212)159-65-110(196)167-91(122(153)207)39-30-54-157-149(154)155)187-137(222)101(57-83-31-20-18-21-32-83)177-132(217)97(47-51-115(203)204)172-131(216)93(38-27-29-53-151)169-125(210)79(13)164-123(208)78(12)165-130(215)96(44-48-109(152)195)168-111(197)66-160-129(214)95(46-50-114(201)202)171-133(218)98(55-72(2)3)175-134(219)100(59-85-40-42-88(194)43-41-85)178-140(225)106(68-189)181-142(227)108(70-191)182-144(229)118(75(8)9)186-139(224)104(62-116(205)206)179-141(226)107(69-190)183-147(232)121(82(16)193)188-138(223)102(58-84-33-22-19-23-34-84)180-146(231)120(81(15)192)184-112(198)67-161-128(213)94(45-49-113(199)200)170-124(209)77(11)163-105(148(233)234)61-87-64-156-71-162-87/h18-25,31-36,40-43,63-64,71-82,91-108,117-121,158,163,189-194H,17,26-30,37-39,44-62,65-70,150-151H2,1-16H3,(H2,152,195)(H2,153,207)(H,156,162)(H,159,212)(H,160,214)(H,161,213)(H,164,208)(H,165,215)(H,166,230)(H,167,196)(H,168,197)(H,169,210)(H,170,209)(H,171,218)(H,172,216)(H,173,228)(H,174,211)(H,175,219)(H,176,220)(H,177,217)(H,178,225)(H,179,226)(H,180,231)(H,181,227)(H,182,229)(H,183,232)(H,184,198)(H,185,221)(H,186,224)(H,187,222)(H,188,223)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,233,234)(H4,154,155,157)/t76-,77-,78-,79-,80-,81+,82-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,117-,118-,119-,120-,121-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Agonist activity at GCGR expressed in HEK293 cells assessed as stimulation of cAMP production by luciferase reporter gene assay


Nat Chem Biol 5: 749-57 (2009)


Article DOI: 10.1038/nchembio.209
BindingDB Entry DOI: 10.7270/Q2WW7JNF
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50324731
PNG
(CHEMBL1222074 | HAEGTFTSDVSSYLEGQAAKEFIAWLVKGR)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N[C@@H](Cc1cnc[nH]1)C(O)=O)[C@@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:60.66,47.53,37.38,19.25,4.4,181.184,203.208,105.111,151.154,123.133,167.172,95.99,77.87,wD:69.74,42.43,28.34,8.16,2.2,176.180,195.200,210.215,223.228,113.117,101.103,142.150,134.137,164.169,119.121,89.93,154.156,(69.72,-44.64,;69.72,-46.17,;71.06,-46.95,;72.39,-46.18,;71.06,-48.5,;69.72,-49.27,;68.4,-48.5,;68.4,-46.96,;67.06,-49.27,;67.06,-50.81,;68.4,-51.58,;69.73,-50.8,;71.06,-51.57,;71.07,-53.11,;69.73,-53.88,;68.4,-53.12,;65.72,-48.5,;64.38,-49.27,;64.38,-50.81,;63.05,-48.5,;63.05,-46.96,;64.38,-46.19,;64.38,-44.64,;63.04,-43.88,;65.72,-43.88,;61.72,-49.28,;60.38,-48.51,;60.38,-46.96,;59.05,-49.28,;59.05,-50.82,;60.38,-51.59,;60.38,-53.12,;61.72,-53.9,;61.72,-55.43,;57.72,-48.51,;56.38,-49.28,;56.38,-50.82,;55.04,-48.51,;55.04,-46.97,;53.71,-49.29,;52.38,-48.52,;52.38,-46.97,;51.04,-49.29,;51.04,-50.83,;49.71,-48.52,;48.37,-49.29,;48.37,-50.83,;47.04,-48.52,;47.04,-46.98,;48.37,-46.21,;48.37,-44.67,;47.04,-43.9,;49.71,-43.9,;45.71,-49.29,;44.37,-48.53,;44.37,-46.98,;43.03,-49.3,;41.7,-48.53,;40.37,-49.3,;40.37,-50.84,;39.04,-48.53,;39.04,-46.99,;40.37,-46.22,;40.37,-44.68,;39.03,-43.91,;41.7,-43.91,;37.7,-49.3,;36.37,-48.54,;36.37,-46.99,;35.03,-49.31,;35.03,-50.84,;36.37,-51.62,;36.37,-53.16,;37.7,-50.84,;33.69,-48.55,;32.36,-49.31,;32.36,-50.85,;31.03,-48.55,;31.03,-47,;32.36,-46.23,;33.69,-47,;35.02,-46.22,;35.02,-44.68,;36.36,-43.91,;33.68,-43.92,;32.36,-44.69,;29.69,-49.31,;28.36,-48.55,;28.36,-47.01,;27.03,-49.32,;27.03,-50.85,;28.36,-51.63,;25.69,-48.55,;24.35,-49.32,;24.35,-50.86,;23.02,-48.56,;23.02,-47.01,;24.35,-46.24,;21.68,-49.32,;20.35,-48.56,;20.35,-47.02,;19.01,-49.32,;17.69,-48.56,;16.35,-49.33,;16.35,-50.86,;15.01,-48.57,;15.01,-47.02,;16.35,-46.25,;17.68,-47.02,;16.35,-44.7,;13.68,-49.33,;12.35,-48.57,;12.35,-47.03,;11.01,-49.33,;11.01,-50.88,;12.35,-51.65,;9.68,-48.57,;9.65,-47.04,;10.98,-46.25,;8.32,-46.28,;8.3,-44.73,;6.96,-43.98,;5.63,-44.76,;6.95,-42.44,;8.27,-41.65,;9.62,-42.42,;9.63,-43.96,;10.97,-44.71,;12.29,-43.93,;12.28,-42.39,;10.94,-41.63,;5.61,-41.67,;5.59,-40.13,;6.92,-39.36,;4.24,-39.38,;4.23,-37.84,;2.89,-37.07,;1.56,-37.86,;2.87,-35.53,;1.54,-34.78,;1.52,-33.24,;2.85,-32.45,;.18,-32.48,;-1.15,-33.27,;-1.13,-34.81,;-2.46,-35.59,;-3.8,-34.83,;-2.44,-37.13,;.17,-30.94,;-1.17,-30.19,;-2.5,-30.97,;-1.19,-28.65,;.14,-27.86,;-2.53,-27.88,;-2.56,-26.32,;-1.25,-25.53,;-1.23,-23.99,;-2.59,-23.29,;-2.36,-21.76,;-.82,-21.52,;-.11,-22.9,;-3.91,-25.57,;-3.94,-24.03,;-5.24,-26.37,;2.92,-40.16,;1.58,-39.4,;2.93,-41.7,;6.99,-47.06,;5.65,-46.3,;7,-48.6,;19.01,-50.86,;20.35,-51.64,;17.69,-51.64,;72.39,-49.26,;72.39,-50.8,;73.73,-48.49,;75.05,-49.25,;75.05,-50.8,;76.4,-48.49,;76.4,-46.95,;77.73,-49.25,;79.07,-48.49,;79.07,-46.94,;80.39,-46.17,;81.8,-46.79,;82.83,-45.65,;82.06,-44.32,;82.54,-42.85,;81.5,-41.7,;79.99,-42.03,;79.53,-43.49,;80.55,-44.63,;80.39,-49.25,;80.39,-50.78,;81.73,-48.48,;83.07,-49.24,;83.07,-50.78,;84.4,-51.56,;84.4,-53.1,;85.75,-50.78,;84.4,-48.48,;84.4,-46.94,;85.74,-49.24,;87.07,-48.48,;87.07,-46.93,;88.41,-46.16,;85.74,-46.15,;88.41,-49.24,;88.41,-50.77,;89.74,-48.47,;91.07,-49.23,;91.07,-50.77,;92.41,-51.55,;92.41,-53.09,;93.74,-53.85,;93.74,-55.4,;92.41,-48.47,;92.41,-46.92,;93.74,-49.23,;95.08,-48.47,;96.41,-49.23,;96.41,-50.77,;97.75,-48.47,;99.08,-49.23,;99.08,-50.76,;100.42,-51.54,;100.42,-53.08,;101.75,-53.84,;101.75,-55.38,;100.42,-56.16,;103.09,-56.16,;100.42,-48.45,;101.75,-49.22,;100.42,-46.91,)|
Show InChI InChI=1S/C149H225N39O46/c1-17-76(10)119(145(230)166-80(14)126(211)174-103(60-86-63-158-90-36-25-24-35-89(86)90)135(220)176-99(56-73(4)5)136(221)185-117(74(6)7)143(228)173-92(37-26-28-52-150)127(212)159-65-110(196)167-91(122(153)207)39-30-54-157-149(154)155)187-137(222)101(57-83-31-20-18-21-32-83)177-132(217)97(47-51-115(203)204)172-131(216)93(38-27-29-53-151)169-125(210)79(13)164-123(208)78(12)165-130(215)96(44-48-109(152)195)168-111(197)66-160-129(214)95(46-50-114(201)202)171-133(218)98(55-72(2)3)175-134(219)100(59-85-40-42-88(194)43-41-85)178-140(225)106(68-189)181-142(227)108(70-191)182-144(229)118(75(8)9)186-139(224)104(62-116(205)206)179-141(226)107(69-190)183-147(232)121(82(16)193)188-138(223)102(58-84-33-22-19-23-34-84)180-146(231)120(81(15)192)184-112(198)67-161-128(213)94(45-49-113(199)200)170-124(209)77(11)163-105(148(233)234)61-87-64-156-71-162-87/h18-25,31-36,40-43,63-64,71-82,91-108,117-121,158,163,189-194H,17,26-30,37-39,44-62,65-70,150-151H2,1-16H3,(H2,152,195)(H2,153,207)(H,156,162)(H,159,212)(H,160,214)(H,161,213)(H,164,208)(H,165,215)(H,166,230)(H,167,196)(H,168,197)(H,169,210)(H,170,209)(H,171,218)(H,172,216)(H,173,228)(H,174,211)(H,175,219)(H,176,220)(H,177,217)(H,178,225)(H,179,226)(H,180,231)(H,181,227)(H,182,229)(H,183,232)(H,184,198)(H,185,221)(H,186,224)(H,187,222)(H,188,223)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,233,234)(H4,154,155,157)/t76-,77-,78-,79-,80-,81+,82-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,117-,118-,119-,120-,121-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0330n/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Agonist activity at GLP1R expressed in HEK293 cells assessed as stimulation of cAMP production by luciferase reporter gene assay


Nat Chem Biol 5: 749-57 (2009)


Article DOI: 10.1038/nchembio.209
BindingDB Entry DOI: 10.7270/Q2WW7JNF
More data for this
Ligand-Target Pair