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SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)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](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)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(=O)NCC(N)=O

InChI Key: InChIKey=WPXDPFYLELBEJH-MAGRMNHLSA-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 = 50261516   
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-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50261516
PNG
(CHEMBL499133 | c[Glu23-Lys27][Gly8]GLP-1(7-37)-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)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](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)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(=O)NCC(N)=O |r,wU:132.135,119.127,111.114,140.145,96.98,143.148,82.88,72.76,46.51,37.43,152.156,162.166,8.16,2.2,174.179,193.199,208.214,wD:100.110,90.94,78.80,66.70,54.64,29.30,19.19,4.4,179.183,201.207,221.227,157.161,(65.14,10.31,;63.81,11.08,;63.81,12.62,;65.14,13.39,;62.48,13.39,;61.15,12.62,;61.15,11.08,;62.48,10.31,;59.81,10.31,;58.49,11.08,;58.49,12.62,;59.83,13.39,;59.82,14.93,;58.5,15.69,;57.17,14.92,;57.16,13.38,;59.81,8.77,;58.49,8,;57.15,8.77,;58.49,6.46,;59.82,5.68,;61.15,6.45,;62.5,5.67,;63.82,6.44,;65.16,5.66,;53.9,-7.99,;54.14,-9.51,;52.6,-7.17,;51.24,-7.88,;49.92,-7.01,;48.55,-7.71,;48.55,-9.25,;49.88,-10.02,;47.21,-10.02,;45.89,-9.25,;44.55,-10.02,;44.55,-11.55,;43.22,-9.25,;43.22,-7.71,;41.89,-6.94,;41.89,-5.4,;43.22,-4.63,;40.56,-4.63,;41.89,-10.02,;41.89,-11.55,;43.22,-12.32,;40.56,-12.32,;39.22,-11.55,;39.22,-10.02,;37.9,-9.25,;40.56,-9.25,;40.56,-13.86,;39.22,-14.63,;37.9,-13.86,;39.22,-16.17,;40.56,-16.94,;41.89,-16.17,;41.88,-14.62,;43.22,-13.86,;44.55,-14.66,;45.89,-13.89,;44.54,-16.18,;43.21,-16.94,;37.9,-16.94,;37.9,-18.47,;39.22,-19.24,;36.56,-19.24,;36.56,-20.78,;37.9,-21.55,;35.22,-18.47,;33.9,-19.24,;33.9,-20.78,;32.56,-18.47,;32.56,-16.94,;33.9,-16.17,;31.23,-19.24,;29.9,-18.47,;29.9,-16.94,;28.57,-19.24,;27.23,-18.47,;25.91,-19.24,;25.91,-20.78,;24.57,-18.47,;24.57,-16.94,;25.91,-16.17,;27.23,-16.94,;25.91,-14.63,;23.24,-19.24,;21.91,-18.47,;21.91,-16.94,;20.57,-19.24,;20.57,-20.78,;21.91,-21.55,;19.24,-18.47,;17.91,-19.24,;17.91,-20.78,;16.58,-18.47,;15.24,-19.24,;13.92,-18.47,;13.92,-16.94,;12.58,-19.24,;12.58,-20.78,;13.92,-21.55,;15.23,-20.77,;16.56,-21.54,;16.56,-23.09,;15.23,-23.86,;13.9,-23.08,;11.25,-18.47,;9.92,-19.24,;9.92,-20.78,;8.59,-18.47,;7.25,-19.24,;5.92,-18.47,;5.92,-16.94,;4.59,-19.24,;3.26,-18.47,;1.93,-19.24,;1.93,-20.78,;.59,-18.47,;.59,-16.94,;1.93,-16.17,;1.93,-14.63,;.59,-13.86,;3.26,-13.86,;-.74,-19.24,;-2.07,-18.47,;-2.07,-16.94,;-3.4,-19.24,;-4.74,-18.47,;-6.06,-19.24,;-6.06,-20.78,;-7.4,-18.47,;-8.73,-19.24,;-7.4,-16.94,;-6.06,-16.17,;-5.9,-14.62,;-4.39,-14.31,;-3.63,-15.65,;-4.66,-16.79,;8.59,-16.94,;7.25,-16.17,;9.92,-16.17,;16.58,-16.94,;15.24,-16.17,;17.91,-16.17,;28.57,-20.78,;29.9,-21.55,;27.23,-21.55,;50.02,-5.5,;48.73,-4.65,;51.37,-4.81,;51.44,-3.26,;50.14,-2.43,;52.8,-2.58,;54.07,-3.41,;52.87,-1.04,;54.25,-.29,;55.61,-1.13,;54.3,1.22,;53.01,2.06,;55.65,1.92,;55.73,3.47,;54.43,4.3,;54.43,5.84,;53.1,6.61,;53.1,8.15,;51.77,8.92,;57.11,4.2,;55.77,4.97,;57.15,5.69,;62.48,14.92,;61.15,15.69,;63.81,15.69,;63.81,17.23,;62.48,18,;65.14,18,;66.48,17.23,;65.14,19.54,;66.48,20.31,;67.81,19.54,;69.1,20.38,;69.16,21.91,;70.64,22.33,;71.5,21.05,;73.02,20.83,;73.6,19.4,;72.64,18.18,;71.12,18.41,;70.55,19.83,;66.48,21.84,;65.14,22.61,;67.81,22.61,;67.81,24.15,;66.48,24.92,;66.48,26.46,;65.14,27.23,;67.81,27.23,;69.14,24.92,;69.14,26.46,;70.48,24.15,;71.8,24.92,;73.14,24.15,;74.47,24.92,;73.14,22.61,;71.8,26.46,;70.48,27.23,;73.14,27.23,;73.14,28.76,;71.8,29.53,;70.48,28.76,;69.14,29.53,;67.81,28.76,;66.48,29.53,;74.47,29.53,;74.47,31.07,;75.8,28.76,;77.13,29.53,;78.47,28.76,;78.47,27.23,;79.79,29.53,;81.13,28.76,;81.13,27.23,;82.47,26.46,;82.47,24.92,;83.79,24.15,;83.79,22.61,;82.47,21.84,;85.13,21.84,;82.47,29.53,;82.47,31.07,;83.79,28.76,;85.13,29.53,;86.46,28.76,;87.79,29.53,;86.46,27.23,)|
Show InChI InChI=1S/C151H229N41O44/c1-16-79(10)122(148(234)170-82(13)127(213)178-106(61-88-64-161-93-37-24-23-36-91(88)93)138(224)180-102(57-76(4)5)139(225)189-120(77(6)7)146(232)177-95(38-25-28-52-152)130(216)164-68-114(202)171-94(41-31-55-160-151(156)157)129(215)162-66-111(155)199)191-140(226)104(58-85-32-19-17-20-33-85)181-135(221)97-40-27-30-54-159-112(200)49-46-100(133(219)169-80(11)125(211)168-81(12)126(212)174-96(134(220)175-97)39-26-29-53-153)173-115(203)69-165-132(218)99(48-51-118(207)208)176-136(222)101(56-75(2)3)179-137(223)103(60-87-42-44-90(198)45-43-87)182-143(229)108(71-193)185-145(231)110(73-195)186-147(233)121(78(8)9)190-142(228)107(63-119(209)210)183-144(230)109(72-194)187-150(236)124(84(15)197)192-141(227)105(59-86-34-21-18-22-35-86)184-149(235)123(83(14)196)188-116(204)70-166-131(217)98(47-50-117(205)206)172-113(201)67-163-128(214)92(154)62-89-65-158-74-167-89/h17-24,32-37,42-45,64-65,74-84,92,94-110,120-124,161,193-198H,16,25-31,38-41,46-63,66-73,152-154H2,1-15H3,(H2,155,199)(H,158,167)(H,159,200)(H,162,215)(H,163,214)(H,164,216)(H,165,218)(H,166,217)(H,168,211)(H,169,219)(H,170,234)(H,171,202)(H,172,201)(H,173,203)(H,174,212)(H,175,220)(H,176,222)(H,177,232)(H,178,213)(H,179,223)(H,180,224)(H,181,221)(H,182,229)(H,183,230)(H,184,235)(H,185,231)(H,186,233)(H,187,236)(H,188,204)(H,189,225)(H,190,228)(H,191,226)(H,192,227)(H,205,206)(H,207,208)(H,209,210)(H4,156,157,160)/t79-,80-,81-,82-,83+,84+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,120-,121-,122-,123-,124-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 0.00800n/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as increase in cAMP level by cAMP-response element/luciferase activation assay


J Med Chem 51: 2758-65 (2008)


Article DOI: 10.1021/jm701522b
BindingDB Entry DOI: 10.7270/Q2736QPR
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50261516
PNG
(CHEMBL499133 | c[Glu23-Lys27][Gly8]GLP-1(7-37)-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)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](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)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(=O)NCC(N)=O |r,wU:132.135,119.127,111.114,140.145,96.98,143.148,82.88,72.76,46.51,37.43,152.156,162.166,8.16,2.2,174.179,193.199,208.214,wD:100.110,90.94,78.80,66.70,54.64,29.30,19.19,4.4,179.183,201.207,221.227,157.161,(65.14,10.31,;63.81,11.08,;63.81,12.62,;65.14,13.39,;62.48,13.39,;61.15,12.62,;61.15,11.08,;62.48,10.31,;59.81,10.31,;58.49,11.08,;58.49,12.62,;59.83,13.39,;59.82,14.93,;58.5,15.69,;57.17,14.92,;57.16,13.38,;59.81,8.77,;58.49,8,;57.15,8.77,;58.49,6.46,;59.82,5.68,;61.15,6.45,;62.5,5.67,;63.82,6.44,;65.16,5.66,;53.9,-7.99,;54.14,-9.51,;52.6,-7.17,;51.24,-7.88,;49.92,-7.01,;48.55,-7.71,;48.55,-9.25,;49.88,-10.02,;47.21,-10.02,;45.89,-9.25,;44.55,-10.02,;44.55,-11.55,;43.22,-9.25,;43.22,-7.71,;41.89,-6.94,;41.89,-5.4,;43.22,-4.63,;40.56,-4.63,;41.89,-10.02,;41.89,-11.55,;43.22,-12.32,;40.56,-12.32,;39.22,-11.55,;39.22,-10.02,;37.9,-9.25,;40.56,-9.25,;40.56,-13.86,;39.22,-14.63,;37.9,-13.86,;39.22,-16.17,;40.56,-16.94,;41.89,-16.17,;41.88,-14.62,;43.22,-13.86,;44.55,-14.66,;45.89,-13.89,;44.54,-16.18,;43.21,-16.94,;37.9,-16.94,;37.9,-18.47,;39.22,-19.24,;36.56,-19.24,;36.56,-20.78,;37.9,-21.55,;35.22,-18.47,;33.9,-19.24,;33.9,-20.78,;32.56,-18.47,;32.56,-16.94,;33.9,-16.17,;31.23,-19.24,;29.9,-18.47,;29.9,-16.94,;28.57,-19.24,;27.23,-18.47,;25.91,-19.24,;25.91,-20.78,;24.57,-18.47,;24.57,-16.94,;25.91,-16.17,;27.23,-16.94,;25.91,-14.63,;23.24,-19.24,;21.91,-18.47,;21.91,-16.94,;20.57,-19.24,;20.57,-20.78,;21.91,-21.55,;19.24,-18.47,;17.91,-19.24,;17.91,-20.78,;16.58,-18.47,;15.24,-19.24,;13.92,-18.47,;13.92,-16.94,;12.58,-19.24,;12.58,-20.78,;13.92,-21.55,;15.23,-20.77,;16.56,-21.54,;16.56,-23.09,;15.23,-23.86,;13.9,-23.08,;11.25,-18.47,;9.92,-19.24,;9.92,-20.78,;8.59,-18.47,;7.25,-19.24,;5.92,-18.47,;5.92,-16.94,;4.59,-19.24,;3.26,-18.47,;1.93,-19.24,;1.93,-20.78,;.59,-18.47,;.59,-16.94,;1.93,-16.17,;1.93,-14.63,;.59,-13.86,;3.26,-13.86,;-.74,-19.24,;-2.07,-18.47,;-2.07,-16.94,;-3.4,-19.24,;-4.74,-18.47,;-6.06,-19.24,;-6.06,-20.78,;-7.4,-18.47,;-8.73,-19.24,;-7.4,-16.94,;-6.06,-16.17,;-5.9,-14.62,;-4.39,-14.31,;-3.63,-15.65,;-4.66,-16.79,;8.59,-16.94,;7.25,-16.17,;9.92,-16.17,;16.58,-16.94,;15.24,-16.17,;17.91,-16.17,;28.57,-20.78,;29.9,-21.55,;27.23,-21.55,;50.02,-5.5,;48.73,-4.65,;51.37,-4.81,;51.44,-3.26,;50.14,-2.43,;52.8,-2.58,;54.07,-3.41,;52.87,-1.04,;54.25,-.29,;55.61,-1.13,;54.3,1.22,;53.01,2.06,;55.65,1.92,;55.73,3.47,;54.43,4.3,;54.43,5.84,;53.1,6.61,;53.1,8.15,;51.77,8.92,;57.11,4.2,;55.77,4.97,;57.15,5.69,;62.48,14.92,;61.15,15.69,;63.81,15.69,;63.81,17.23,;62.48,18,;65.14,18,;66.48,17.23,;65.14,19.54,;66.48,20.31,;67.81,19.54,;69.1,20.38,;69.16,21.91,;70.64,22.33,;71.5,21.05,;73.02,20.83,;73.6,19.4,;72.64,18.18,;71.12,18.41,;70.55,19.83,;66.48,21.84,;65.14,22.61,;67.81,22.61,;67.81,24.15,;66.48,24.92,;66.48,26.46,;65.14,27.23,;67.81,27.23,;69.14,24.92,;69.14,26.46,;70.48,24.15,;71.8,24.92,;73.14,24.15,;74.47,24.92,;73.14,22.61,;71.8,26.46,;70.48,27.23,;73.14,27.23,;73.14,28.76,;71.8,29.53,;70.48,28.76,;69.14,29.53,;67.81,28.76,;66.48,29.53,;74.47,29.53,;74.47,31.07,;75.8,28.76,;77.13,29.53,;78.47,28.76,;78.47,27.23,;79.79,29.53,;81.13,28.76,;81.13,27.23,;82.47,26.46,;82.47,24.92,;83.79,24.15,;83.79,22.61,;82.47,21.84,;85.13,21.84,;82.47,29.53,;82.47,31.07,;83.79,28.76,;85.13,29.53,;86.46,28.76,;87.79,29.53,;86.46,27.23,)|
Show InChI InChI=1S/C151H229N41O44/c1-16-79(10)122(148(234)170-82(13)127(213)178-106(61-88-64-161-93-37-24-23-36-91(88)93)138(224)180-102(57-76(4)5)139(225)189-120(77(6)7)146(232)177-95(38-25-28-52-152)130(216)164-68-114(202)171-94(41-31-55-160-151(156)157)129(215)162-66-111(155)199)191-140(226)104(58-85-32-19-17-20-33-85)181-135(221)97-40-27-30-54-159-112(200)49-46-100(133(219)169-80(11)125(211)168-81(12)126(212)174-96(134(220)175-97)39-26-29-53-153)173-115(203)69-165-132(218)99(48-51-118(207)208)176-136(222)101(56-75(2)3)179-137(223)103(60-87-42-44-90(198)45-43-87)182-143(229)108(71-193)185-145(231)110(73-195)186-147(233)121(78(8)9)190-142(228)107(63-119(209)210)183-144(230)109(72-194)187-150(236)124(84(15)197)192-141(227)105(59-86-34-21-18-22-35-86)184-149(235)123(83(14)196)188-116(204)70-166-131(217)98(47-50-117(205)206)172-113(201)67-163-128(214)92(154)62-89-65-158-74-167-89/h17-24,32-37,42-45,64-65,74-84,92,94-110,120-124,161,193-198H,16,25-31,38-41,46-63,66-73,152-154H2,1-15H3,(H2,155,199)(H,158,167)(H,159,200)(H,162,215)(H,163,214)(H,164,216)(H,165,218)(H,166,217)(H,168,211)(H,169,219)(H,170,234)(H,171,202)(H,172,201)(H,173,203)(H,174,212)(H,175,220)(H,176,222)(H,177,232)(H,178,213)(H,179,223)(H,180,224)(H,181,221)(H,182,229)(H,183,230)(H,184,235)(H,185,231)(H,186,233)(H,187,236)(H,188,204)(H,189,225)(H,190,228)(H,191,226)(H,192,227)(H,205,206)(H,207,208)(H,209,210)(H4,156,157,160)/t79-,80-,81-,82-,83+,84+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,120-,121-,122-,123-,124-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells


J Med Chem 51: 2758-65 (2008)


Article DOI: 10.1021/jm701522b
BindingDB Entry DOI: 10.7270/Q2736QPR
More data for this
Ligand-Target Pair