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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 1 receptor' and Ligand = 'BDBM50261509'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50261509
PNG
(CHEMBL499370 | [Gly8, aib22]GLP-1(7-37)-NH2)
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)C(C)(C)NC(=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)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[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(=O)NCC(N)=O |r,wU:47.53,37.38,19.25,4.4,182.185,157.160,204.209,107.113,136.139,97.101,165.170,144.152,79.89,121.123,168.173,62.68,wD:42.43,28.34,8.16,2.2,177.181,196.201,211.216,224.229,115.119,103.105,91.95,125.135,71.76,(74.54,-16.59,;73.91,-17.99,;74.81,-19.25,;76.34,-19.1,;74.17,-20.65,;72.64,-20.8,;71.75,-19.55,;72.38,-18.15,;70.21,-19.7,;69.58,-21.1,;70.48,-22.35,;72.01,-22.19,;72.91,-23.44,;72.28,-24.85,;70.74,-25,;69.85,-23.75,;69.32,-18.45,;67.79,-18.6,;67.15,-20,;66.89,-17.35,;67.52,-15.95,;69.06,-15.8,;69.69,-14.39,;68.79,-13.14,;71.22,-14.24,;65.36,-17.5,;64.57,-16.18,;65.31,-14.84,;63.03,-16.21,;62.28,-17.56,;63.08,-18.87,;62.33,-20.22,;63.13,-21.54,;62.38,-22.89,;62.23,-14.89,;60.7,-14.92,;59.95,-16.27,;59.9,-13.6,;60.65,-12.25,;58.37,-13.63,;57.57,-12.31,;58.32,-10.96,;56.03,-12.34,;55.28,-13.68,;55.23,-11.02,;53.7,-11.05,;52.96,-12.39,;52.9,-9.73,;53.65,-8.38,;55.19,-8.36,;55.94,-7.01,;55.14,-5.69,;57.47,-6.98,;51.37,-9.76,;50.07,-10.55,;50.09,-12.09,;48.71,-9.8,;49.46,-8.46,;47.96,-11.15,;47.37,-9.06,;46.04,-9.85,;46.07,-11.39,;44.69,-9.1,;44.67,-7.56,;45.98,-6.76,;45.96,-5.23,;44.61,-4.48,;47.28,-4.43,;43.37,-9.9,;42.03,-9.14,;41.99,-7.59,;40.7,-9.93,;40.74,-11.47,;42.08,-12.22,;42.1,-13.76,;43.38,-11.43,;39.35,-9.19,;38.02,-9.97,;38.05,-11.51,;36.67,-9.22,;36.65,-7.68,;37.96,-6.88,;39.32,-7.63,;40.65,-6.84,;40.62,-5.3,;41.95,-4.51,;39.26,-4.55,;37.94,-5.34,;35.36,-10.03,;34.02,-9.28,;33.99,-7.74,;32.7,-10.08,;32.72,-11.62,;34.09,-12.37,;31.36,-9.33,;30.03,-10.12,;30.06,-11.66,;28.7,-9.37,;28.66,-7.83,;30,-7.03,;27.38,-10.17,;26.03,-9.43,;26,-7.88,;24.71,-10.22,;23.37,-9.47,;22.04,-10.25,;22.08,-11.79,;20.71,-9.5,;20.69,-7.96,;22,-7.16,;23.34,-7.91,;21.97,-5.63,;19.39,-10.3,;18.04,-9.56,;18.02,-8.02,;16.73,-10.36,;16.75,-11.89,;18.12,-12.64,;15.39,-9.6,;14.07,-10.39,;14.09,-11.93,;12.71,-9.65,;11.4,-10.45,;10.06,-9.7,;10.02,-8.15,;8.73,-10.49,;8.77,-12.03,;10.1,-12.78,;11.42,-11.99,;12.79,-12.73,;12.81,-14.27,;11.49,-15.06,;10.13,-14.32,;7.39,-9.73,;6.06,-10.51,;6.08,-12.05,;4.7,-9.76,;3.4,-10.58,;2.05,-9.83,;2.01,-8.28,;.75,-10.62,;-.61,-9.88,;-1.94,-10.65,;-1.91,-12.19,;-3.27,-9.9,;-3.31,-8.36,;-1.99,-7.57,;-2.02,-6.03,;-3.36,-5.28,;-.69,-5.23,;-4.59,-10.71,;-5.93,-9.96,;-5.95,-8.41,;-7.23,-10.75,;-8.58,-10.01,;-9.92,-10.79,;-9.9,-12.33,;-11.27,-10.04,;-12.6,-10.83,;-11.3,-8.49,;-9.97,-7.7,;-9.83,-6.17,;-8.33,-5.83,;-7.54,-7.15,;-8.56,-8.31,;4.68,-8.22,;3.34,-7.47,;6.02,-7.43,;12.69,-8.1,;11.33,-7.35,;14.02,-7.32,;24.74,-11.76,;26.09,-12.51,;23.41,-12.55,;75.07,-21.9,;74.44,-23.3,;76.61,-21.75,;77.88,-22.61,;77.76,-24.15,;79.26,-21.94,;79.37,-20.41,;80.53,-22.8,;81.92,-22.13,;82.03,-20.6,;83.42,-19.93,;84.77,-20.64,;85.88,-19.58,;85.21,-18.19,;85.79,-16.77,;84.84,-15.55,;83.31,-15.77,;82.74,-17.19,;83.68,-18.41,;83.2,-23,;83.08,-24.53,;84.58,-22.33,;85.85,-23.19,;85.74,-24.72,;87.02,-25.59,;86.9,-27.12,;88.4,-24.92,;87.24,-22.52,;87.35,-20.98,;88.51,-23.38,;89.89,-22.71,;90.01,-21.18,;91.39,-20.51,;88.73,-20.31,;91.17,-23.58,;91.06,-25.11,;92.55,-22.9,;93.83,-23.77,;93.71,-25.3,;94.99,-26.17,;94.88,-27.7,;96.15,-28.56,;96.04,-30.1,;95.21,-23.1,;95.32,-21.56,;96.48,-23.96,;97.87,-23.29,;99.14,-24.15,;99.03,-25.69,;100.52,-23.48,;101.8,-24.35,;101.69,-25.88,;102.97,-26.74,;102.85,-28.28,;104.13,-29.14,;104.02,-30.68,;102.63,-31.34,;105.28,-31.54,;103.19,-23.67,;103.3,-22.14,;104.46,-24.54,;105.84,-23.87,;107.12,-24.73,;108.5,-24.06,;107.01,-26.27,)|
Show InChI InChI=1S/C152H231N41O46/c1-18-78(10)121(147(236)170-81(13)126(215)177-105(61-87-64-162-92-37-26-25-36-90(87)92)136(225)179-101(57-75(4)5)137(226)189-119(76(6)7)145(234)176-94(38-27-29-53-153)129(218)165-68-113(203)171-93(40-31-55-161-151(158)159)128(217)163-66-111(157)201)191-138(227)103(58-84-32-21-19-22-33-84)180-133(222)97(47-51-116(207)208)174-132(221)95(39-28-30-54-154)173-125(214)80(12)168-124(213)79(11)169-131(220)98(45-49-110(156)200)187-150(239)152(16,17)193-144(233)99(48-52-117(209)210)175-134(223)100(56-74(2)3)178-135(224)102(60-86-41-43-89(199)44-42-86)181-141(230)107(70-194)184-143(232)109(72-196)185-146(235)120(77(8)9)190-140(229)106(63-118(211)212)182-142(231)108(71-195)186-149(238)123(83(15)198)192-139(228)104(59-85-34-23-20-24-35-85)183-148(237)122(82(14)197)188-114(204)69-166-130(219)96(46-50-115(205)206)172-112(202)67-164-127(216)91(155)62-88-65-160-73-167-88/h19-26,32-37,41-44,64-65,73-83,91,93-109,119-123,162,194-199H,18,27-31,38-40,45-63,66-72,153-155H2,1-17H3,(H2,156,200)(H2,157,201)(H,160,167)(H,163,217)(H,164,216)(H,165,218)(H,166,219)(H,168,213)(H,169,220)(H,170,236)(H,171,203)(H,172,202)(H,173,214)(H,174,221)(H,175,223)(H,176,234)(H,177,215)(H,178,224)(H,179,225)(H,180,222)(H,181,230)(H,182,231)(H,183,237)(H,184,232)(H,185,235)(H,186,238)(H,187,239)(H,188,204)(H,189,226)(H,190,229)(H,191,227)(H,192,228)(H,193,233)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H4,158,159,161)/t78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,119-,120-,121-,122-,123-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90n/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
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50261509
PNG
(CHEMBL499370 | [Gly8, aib22]GLP-1(7-37)-NH2)
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)C(C)(C)NC(=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)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[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(=O)NCC(N)=O |r,wU:47.53,37.38,19.25,4.4,182.185,157.160,204.209,107.113,136.139,97.101,165.170,144.152,79.89,121.123,168.173,62.68,wD:42.43,28.34,8.16,2.2,177.181,196.201,211.216,224.229,115.119,103.105,91.95,125.135,71.76,(74.54,-16.59,;73.91,-17.99,;74.81,-19.25,;76.34,-19.1,;74.17,-20.65,;72.64,-20.8,;71.75,-19.55,;72.38,-18.15,;70.21,-19.7,;69.58,-21.1,;70.48,-22.35,;72.01,-22.19,;72.91,-23.44,;72.28,-24.85,;70.74,-25,;69.85,-23.75,;69.32,-18.45,;67.79,-18.6,;67.15,-20,;66.89,-17.35,;67.52,-15.95,;69.06,-15.8,;69.69,-14.39,;68.79,-13.14,;71.22,-14.24,;65.36,-17.5,;64.57,-16.18,;65.31,-14.84,;63.03,-16.21,;62.28,-17.56,;63.08,-18.87,;62.33,-20.22,;63.13,-21.54,;62.38,-22.89,;62.23,-14.89,;60.7,-14.92,;59.95,-16.27,;59.9,-13.6,;60.65,-12.25,;58.37,-13.63,;57.57,-12.31,;58.32,-10.96,;56.03,-12.34,;55.28,-13.68,;55.23,-11.02,;53.7,-11.05,;52.96,-12.39,;52.9,-9.73,;53.65,-8.38,;55.19,-8.36,;55.94,-7.01,;55.14,-5.69,;57.47,-6.98,;51.37,-9.76,;50.07,-10.55,;50.09,-12.09,;48.71,-9.8,;49.46,-8.46,;47.96,-11.15,;47.37,-9.06,;46.04,-9.85,;46.07,-11.39,;44.69,-9.1,;44.67,-7.56,;45.98,-6.76,;45.96,-5.23,;44.61,-4.48,;47.28,-4.43,;43.37,-9.9,;42.03,-9.14,;41.99,-7.59,;40.7,-9.93,;40.74,-11.47,;42.08,-12.22,;42.1,-13.76,;43.38,-11.43,;39.35,-9.19,;38.02,-9.97,;38.05,-11.51,;36.67,-9.22,;36.65,-7.68,;37.96,-6.88,;39.32,-7.63,;40.65,-6.84,;40.62,-5.3,;41.95,-4.51,;39.26,-4.55,;37.94,-5.34,;35.36,-10.03,;34.02,-9.28,;33.99,-7.74,;32.7,-10.08,;32.72,-11.62,;34.09,-12.37,;31.36,-9.33,;30.03,-10.12,;30.06,-11.66,;28.7,-9.37,;28.66,-7.83,;30,-7.03,;27.38,-10.17,;26.03,-9.43,;26,-7.88,;24.71,-10.22,;23.37,-9.47,;22.04,-10.25,;22.08,-11.79,;20.71,-9.5,;20.69,-7.96,;22,-7.16,;23.34,-7.91,;21.97,-5.63,;19.39,-10.3,;18.04,-9.56,;18.02,-8.02,;16.73,-10.36,;16.75,-11.89,;18.12,-12.64,;15.39,-9.6,;14.07,-10.39,;14.09,-11.93,;12.71,-9.65,;11.4,-10.45,;10.06,-9.7,;10.02,-8.15,;8.73,-10.49,;8.77,-12.03,;10.1,-12.78,;11.42,-11.99,;12.79,-12.73,;12.81,-14.27,;11.49,-15.06,;10.13,-14.32,;7.39,-9.73,;6.06,-10.51,;6.08,-12.05,;4.7,-9.76,;3.4,-10.58,;2.05,-9.83,;2.01,-8.28,;.75,-10.62,;-.61,-9.88,;-1.94,-10.65,;-1.91,-12.19,;-3.27,-9.9,;-3.31,-8.36,;-1.99,-7.57,;-2.02,-6.03,;-3.36,-5.28,;-.69,-5.23,;-4.59,-10.71,;-5.93,-9.96,;-5.95,-8.41,;-7.23,-10.75,;-8.58,-10.01,;-9.92,-10.79,;-9.9,-12.33,;-11.27,-10.04,;-12.6,-10.83,;-11.3,-8.49,;-9.97,-7.7,;-9.83,-6.17,;-8.33,-5.83,;-7.54,-7.15,;-8.56,-8.31,;4.68,-8.22,;3.34,-7.47,;6.02,-7.43,;12.69,-8.1,;11.33,-7.35,;14.02,-7.32,;24.74,-11.76,;26.09,-12.51,;23.41,-12.55,;75.07,-21.9,;74.44,-23.3,;76.61,-21.75,;77.88,-22.61,;77.76,-24.15,;79.26,-21.94,;79.37,-20.41,;80.53,-22.8,;81.92,-22.13,;82.03,-20.6,;83.42,-19.93,;84.77,-20.64,;85.88,-19.58,;85.21,-18.19,;85.79,-16.77,;84.84,-15.55,;83.31,-15.77,;82.74,-17.19,;83.68,-18.41,;83.2,-23,;83.08,-24.53,;84.58,-22.33,;85.85,-23.19,;85.74,-24.72,;87.02,-25.59,;86.9,-27.12,;88.4,-24.92,;87.24,-22.52,;87.35,-20.98,;88.51,-23.38,;89.89,-22.71,;90.01,-21.18,;91.39,-20.51,;88.73,-20.31,;91.17,-23.58,;91.06,-25.11,;92.55,-22.9,;93.83,-23.77,;93.71,-25.3,;94.99,-26.17,;94.88,-27.7,;96.15,-28.56,;96.04,-30.1,;95.21,-23.1,;95.32,-21.56,;96.48,-23.96,;97.87,-23.29,;99.14,-24.15,;99.03,-25.69,;100.52,-23.48,;101.8,-24.35,;101.69,-25.88,;102.97,-26.74,;102.85,-28.28,;104.13,-29.14,;104.02,-30.68,;102.63,-31.34,;105.28,-31.54,;103.19,-23.67,;103.3,-22.14,;104.46,-24.54,;105.84,-23.87,;107.12,-24.73,;108.5,-24.06,;107.01,-26.27,)|
Show InChI InChI=1S/C152H231N41O46/c1-18-78(10)121(147(236)170-81(13)126(215)177-105(61-87-64-162-92-37-26-25-36-90(87)92)136(225)179-101(57-75(4)5)137(226)189-119(76(6)7)145(234)176-94(38-27-29-53-153)129(218)165-68-113(203)171-93(40-31-55-161-151(158)159)128(217)163-66-111(157)201)191-138(227)103(58-84-32-21-19-22-33-84)180-133(222)97(47-51-116(207)208)174-132(221)95(39-28-30-54-154)173-125(214)80(12)168-124(213)79(11)169-131(220)98(45-49-110(156)200)187-150(239)152(16,17)193-144(233)99(48-52-117(209)210)175-134(223)100(56-74(2)3)178-135(224)102(60-86-41-43-89(199)44-42-86)181-141(230)107(70-194)184-143(232)109(72-196)185-146(235)120(77(8)9)190-140(229)106(63-118(211)212)182-142(231)108(71-195)186-149(238)123(83(15)198)192-139(228)104(59-85-34-23-20-24-35-85)183-148(237)122(82(14)197)188-114(204)69-166-130(219)96(46-50-115(205)206)172-112(202)67-164-127(216)91(155)62-88-65-160-73-167-88/h19-26,32-37,41-44,64-65,73-83,91,93-109,119-123,162,194-199H,18,27-31,38-40,45-63,66-72,153-155H2,1-17H3,(H2,156,200)(H2,157,201)(H,160,167)(H,163,217)(H,164,216)(H,165,218)(H,166,219)(H,168,213)(H,169,220)(H,170,236)(H,171,203)(H,172,202)(H,173,214)(H,174,221)(H,175,223)(H,176,234)(H,177,215)(H,178,224)(H,179,225)(H,180,222)(H,181,230)(H,182,231)(H,183,237)(H,184,232)(H,185,235)(H,186,238)(H,187,239)(H,188,204)(H,189,226)(H,190,229)(H,191,227)(H,192,228)(H,193,233)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H4,158,159,161)/t78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,119-,120-,121-,122-,123-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0270n/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