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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]1CCCCNC(=O)CC[C@H](NC(=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](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)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=WMLJYDAYYJHQMB-UTNRCXIBSA-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 = 50261515   
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))		BDBM50261515
PNG
(CHEMBL524907 | c[Glu22-Lys26][Gly8]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]1CCCCNC(=O)CC[C@H](NC(=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](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)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:105.115,2.2,179.184,101.103,77.81,8.16,148.153,198.204,213.219,51.56,42.48,87.93,145.150,wD:116.119,157.161,166.170,171.175,28.28,137.140,124.132,38.39,83.85,19.25,4.4,71.75,184.188,95.99,206.212,59.69,226.232,(36.02,-5.89,;36,-7.43,;34.66,-8.18,;33.34,-7.4,;34.65,-9.73,;35.96,-10.53,;37.31,-9.78,;37.32,-8.24,;38.63,-10.56,;38.62,-12.1,;37.28,-12.86,;35.94,-12.06,;34.61,-12.85,;34.61,-14.39,;35.93,-15.16,;37.28,-14.39,;39.97,-9.8,;41.31,-10.56,;41.3,-12.1,;42.65,-9.81,;42.67,-8.26,;41.34,-7.48,;41.36,-5.94,;42.66,-5.2,;40.03,-5.16,;43.97,-10.61,;45.31,-9.86,;45.33,-8.32,;46.64,-10.64,;47.98,-9.89,;49.31,-10.67,;49.29,-12.21,;50.8,-12.58,;51.44,-14.68,;38.15,-23.47,;37.54,-24.94,;37.35,-22.04,;35.92,-21.5,;35.88,-19.78,;34.54,-19.01,;34.52,-20.55,;34.51,-22.09,;33.19,-19.77,;33.21,-18.23,;31.88,-17.45,;31.9,-15.9,;33.24,-15.15,;30.57,-15.12,;31.85,-20.52,;31.84,-22.06,;33.16,-22.85,;30.5,-22.82,;29.17,-22.04,;29.19,-20.5,;27.87,-19.72,;30.53,-19.74,;30.48,-24.36,;29.14,-25.12,;27.81,-24.33,;29.12,-26.66,;30.45,-27.44,;31.79,-26.68,;33.13,-27.47,;34.46,-26.72,;34.44,-25.14,;35.78,-24.39,;33.14,-24.4,;31.81,-25.16,;27.78,-27.41,;27.77,-28.95,;29.1,-29.74,;26.42,-29.71,;26.41,-31.25,;25.07,-32.02,;25.08,-28.95,;23.74,-29.71,;23.73,-31.25,;22.42,-28.93,;22.43,-27.38,;21.08,-26.62,;21.07,-29.68,;19.76,-28.87,;19.78,-27.33,;18.42,-29.63,;17.08,-28.87,;15.74,-29.62,;15.72,-31.17,;14.41,-28.84,;14.43,-27.3,;15.77,-26.54,;15.79,-25,;17.1,-27.33,;13.07,-29.6,;11.75,-28.82,;11.76,-27.28,;10.41,-29.58,;10.39,-31.12,;11.71,-31.9,;9.07,-28.81,;7.73,-29.56,;7.71,-31.1,;6.41,-28.78,;5.07,-29.53,;3.75,-28.74,;3.77,-27.19,;2.41,-29.49,;1.1,-28.71,;1.1,-27.17,;-.2,-26.42,;-.21,-24.86,;1.13,-24.11,;2.47,-24.89,;2.45,-26.43,;2.4,-31.03,;1.06,-31.79,;-.27,-31.01,;1.05,-33.33,;-.3,-34.09,;-.32,-35.63,;1.02,-36.41,;-1.64,-36.38,;-1.67,-37.92,;-3,-38.68,;-4.33,-37.9,;-3.02,-40.22,;-1.7,-41,;-.36,-40.25,;.97,-41.03,;2.27,-40.29,;.96,-42.57,;-4.37,-40.97,;-4.38,-42.52,;-3.05,-43.3,;-5.73,-43.27,;-5.74,-44.81,;-7.09,-45.56,;-8.41,-44.78,;-7.11,-47.11,;-8.44,-47.86,;-5.77,-47.89,;-4.43,-47.13,;-4.3,-45.6,;-2.73,-45.28,;-1.98,-46.61,;-3.02,-47.78,;2.36,-34.11,;2.35,-35.65,;3.71,-33.36,;6.43,-27.23,;7.76,-26.48,;5.09,-26.47,;18.41,-31.17,;17.06,-31.93,;19.73,-31.95,;37.22,-19.03,;37.23,-17.49,;38.54,-19.81,;39.89,-19.05,;41.36,-18.6,;42.14,-17.28,;43.68,-17.3,;43.62,-18.42,;44.46,-16.27,;39.9,-17.51,;38.45,-16.73,;40.08,-15.98,;41.55,-15.51,;40.22,-14.08,;42.6,-14.46,;42.61,-12.92,;43.92,-15.24,;45.27,-14.49,;46.59,-15.27,;45.28,-12.94,;43.95,-12.16,;46.62,-12.18,;33.31,-10.48,;33.29,-12.02,;31.97,-9.73,;30.63,-10.49,;30.62,-12.03,;29.31,-9.71,;29.32,-8.17,;27.96,-10.46,;26.65,-9.66,;26.66,-8.11,;25.33,-7.33,;23.85,-8.09,;22.82,-6.94,;23.6,-5.62,;23.12,-4.16,;24.15,-3.01,;25.65,-3.34,;26.13,-4.8,;25.1,-5.95,;25.3,-10.41,;25.28,-11.95,;23.97,-9.64,;22.62,-10.39,;22.61,-11.93,;21.27,-12.69,;21.26,-14.23,;19.94,-11.91,;21.3,-9.61,;19.95,-10.37,;21.3,-8.07,;19.98,-7.29,;19.99,-5.74,;18.67,-4.96,;21.34,-4.99,;18.64,-8.04,;18.62,-9.58,;17.31,-7.26,;15.97,-8.02,;15.95,-9.56,;17.28,-10.34,;17.27,-11.88,;18.59,-12.66,;18.57,-14.21,;14.64,-7.24,;13.3,-7.99,;14.65,-5.7,;13.33,-4.91,;13.34,-3.37,;14.68,-2.61,;12.01,-2.59,;12.03,-1.05,;13.37,-.3,;13.38,1.25,;14.72,2,;14.73,3.54,;16.07,4.29,;17.4,3.52,;16.09,5.83,;10.7,-.27,;9.36,-1.02,;10.71,1.27,;9.39,2.05,;9.4,3.59,;8.08,4.37,;10.74,4.35,)|
Show InChI InChI=1S/C153H229N41O47/c1-16-78(10)123(150(239)171-81(13)128(217)180-106(61-87-64-163-92-35-24-23-34-90(87)92)140(229)182-102(57-75(4)5)141(230)191-121(76(6)7)148(237)179-94(36-25-27-53-154)131(220)166-68-115(205)172-93(38-29-55-162-153(158)159)130(219)164-66-112(157)202)193-142(231)104(58-84-30-19-17-20-31-84)183-137(226)100(47-52-119(211)212)177-134(223)95-37-26-28-54-161-113(203)49-44-98(135(224)175-97(43-48-111(156)201)133(222)170-79(11)126(215)169-80(12)127(216)174-95)176-136(225)99(46-51-118(209)210)178-138(227)101(56-74(2)3)181-139(228)103(60-86-39-41-89(200)42-40-86)184-145(234)108(70-195)187-147(236)110(72-197)188-149(238)122(77(8)9)192-144(233)107(63-120(213)214)185-146(235)109(71-196)189-152(241)125(83(15)199)194-143(232)105(59-85-32-21-18-22-33-85)186-151(240)124(82(14)198)190-116(206)69-167-132(221)96(45-50-117(207)208)173-114(204)67-165-129(218)91(155)62-88-65-160-73-168-88/h17-24,30-35,39-42,64-65,73-83,91,93-110,121-125,163,195-200H,16,25-29,36-38,43-63,66-72,154-155H2,1-15H3,(H2,156,201)(H2,157,202)(H,160,168)(H,161,203)(H,164,219)(H,165,218)(H,166,220)(H,167,221)(H,169,215)(H,170,222)(H,171,239)(H,172,205)(H,173,204)(H,174,216)(H,175,224)(H,176,225)(H,177,223)(H,178,227)(H,179,237)(H,180,217)(H,181,228)(H,182,229)(H,183,226)(H,184,234)(H,185,235)(H,186,240)(H,187,236)(H,188,238)(H,189,241)(H,190,206)(H,191,230)(H,192,233)(H,193,231)(H,194,232)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H4,158,159,162)/t78-,79-,80-,81-,82-,83-,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,121-,122-,123-,124-,125-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 0.0100n/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))		BDBM50261515
PNG
(CHEMBL524907 | c[Glu22-Lys26][Gly8]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]1CCCCNC(=O)CC[C@H](NC(=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](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)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:105.115,2.2,179.184,101.103,77.81,8.16,148.153,198.204,213.219,51.56,42.48,87.93,145.150,wD:116.119,157.161,166.170,171.175,28.28,137.140,124.132,38.39,83.85,19.25,4.4,71.75,184.188,95.99,206.212,59.69,226.232,(36.02,-5.89,;36,-7.43,;34.66,-8.18,;33.34,-7.4,;34.65,-9.73,;35.96,-10.53,;37.31,-9.78,;37.32,-8.24,;38.63,-10.56,;38.62,-12.1,;37.28,-12.86,;35.94,-12.06,;34.61,-12.85,;34.61,-14.39,;35.93,-15.16,;37.28,-14.39,;39.97,-9.8,;41.31,-10.56,;41.3,-12.1,;42.65,-9.81,;42.67,-8.26,;41.34,-7.48,;41.36,-5.94,;42.66,-5.2,;40.03,-5.16,;43.97,-10.61,;45.31,-9.86,;45.33,-8.32,;46.64,-10.64,;47.98,-9.89,;49.31,-10.67,;49.29,-12.21,;50.8,-12.58,;51.44,-14.68,;38.15,-23.47,;37.54,-24.94,;37.35,-22.04,;35.92,-21.5,;35.88,-19.78,;34.54,-19.01,;34.52,-20.55,;34.51,-22.09,;33.19,-19.77,;33.21,-18.23,;31.88,-17.45,;31.9,-15.9,;33.24,-15.15,;30.57,-15.12,;31.85,-20.52,;31.84,-22.06,;33.16,-22.85,;30.5,-22.82,;29.17,-22.04,;29.19,-20.5,;27.87,-19.72,;30.53,-19.74,;30.48,-24.36,;29.14,-25.12,;27.81,-24.33,;29.12,-26.66,;30.45,-27.44,;31.79,-26.68,;33.13,-27.47,;34.46,-26.72,;34.44,-25.14,;35.78,-24.39,;33.14,-24.4,;31.81,-25.16,;27.78,-27.41,;27.77,-28.95,;29.1,-29.74,;26.42,-29.71,;26.41,-31.25,;25.07,-32.02,;25.08,-28.95,;23.74,-29.71,;23.73,-31.25,;22.42,-28.93,;22.43,-27.38,;21.08,-26.62,;21.07,-29.68,;19.76,-28.87,;19.78,-27.33,;18.42,-29.63,;17.08,-28.87,;15.74,-29.62,;15.72,-31.17,;14.41,-28.84,;14.43,-27.3,;15.77,-26.54,;15.79,-25,;17.1,-27.33,;13.07,-29.6,;11.75,-28.82,;11.76,-27.28,;10.41,-29.58,;10.39,-31.12,;11.71,-31.9,;9.07,-28.81,;7.73,-29.56,;7.71,-31.1,;6.41,-28.78,;5.07,-29.53,;3.75,-28.74,;3.77,-27.19,;2.41,-29.49,;1.1,-28.71,;1.1,-27.17,;-.2,-26.42,;-.21,-24.86,;1.13,-24.11,;2.47,-24.89,;2.45,-26.43,;2.4,-31.03,;1.06,-31.79,;-.27,-31.01,;1.05,-33.33,;-.3,-34.09,;-.32,-35.63,;1.02,-36.41,;-1.64,-36.38,;-1.67,-37.92,;-3,-38.68,;-4.33,-37.9,;-3.02,-40.22,;-1.7,-41,;-.36,-40.25,;.97,-41.03,;2.27,-40.29,;.96,-42.57,;-4.37,-40.97,;-4.38,-42.52,;-3.05,-43.3,;-5.73,-43.27,;-5.74,-44.81,;-7.09,-45.56,;-8.41,-44.78,;-7.11,-47.11,;-8.44,-47.86,;-5.77,-47.89,;-4.43,-47.13,;-4.3,-45.6,;-2.73,-45.28,;-1.98,-46.61,;-3.02,-47.78,;2.36,-34.11,;2.35,-35.65,;3.71,-33.36,;6.43,-27.23,;7.76,-26.48,;5.09,-26.47,;18.41,-31.17,;17.06,-31.93,;19.73,-31.95,;37.22,-19.03,;37.23,-17.49,;38.54,-19.81,;39.89,-19.05,;41.36,-18.6,;42.14,-17.28,;43.68,-17.3,;43.62,-18.42,;44.46,-16.27,;39.9,-17.51,;38.45,-16.73,;40.08,-15.98,;41.55,-15.51,;40.22,-14.08,;42.6,-14.46,;42.61,-12.92,;43.92,-15.24,;45.27,-14.49,;46.59,-15.27,;45.28,-12.94,;43.95,-12.16,;46.62,-12.18,;33.31,-10.48,;33.29,-12.02,;31.97,-9.73,;30.63,-10.49,;30.62,-12.03,;29.31,-9.71,;29.32,-8.17,;27.96,-10.46,;26.65,-9.66,;26.66,-8.11,;25.33,-7.33,;23.85,-8.09,;22.82,-6.94,;23.6,-5.62,;23.12,-4.16,;24.15,-3.01,;25.65,-3.34,;26.13,-4.8,;25.1,-5.95,;25.3,-10.41,;25.28,-11.95,;23.97,-9.64,;22.62,-10.39,;22.61,-11.93,;21.27,-12.69,;21.26,-14.23,;19.94,-11.91,;21.3,-9.61,;19.95,-10.37,;21.3,-8.07,;19.98,-7.29,;19.99,-5.74,;18.67,-4.96,;21.34,-4.99,;18.64,-8.04,;18.62,-9.58,;17.31,-7.26,;15.97,-8.02,;15.95,-9.56,;17.28,-10.34,;17.27,-11.88,;18.59,-12.66,;18.57,-14.21,;14.64,-7.24,;13.3,-7.99,;14.65,-5.7,;13.33,-4.91,;13.34,-3.37,;14.68,-2.61,;12.01,-2.59,;12.03,-1.05,;13.37,-.3,;13.38,1.25,;14.72,2,;14.73,3.54,;16.07,4.29,;17.4,3.52,;16.09,5.83,;10.7,-.27,;9.36,-1.02,;10.71,1.27,;9.39,2.05,;9.4,3.59,;8.08,4.37,;10.74,4.35,)|
Show InChI InChI=1S/C153H229N41O47/c1-16-78(10)123(150(239)171-81(13)128(217)180-106(61-87-64-163-92-35-24-23-34-90(87)92)140(229)182-102(57-75(4)5)141(230)191-121(76(6)7)148(237)179-94(36-25-27-53-154)131(220)166-68-115(205)172-93(38-29-55-162-153(158)159)130(219)164-66-112(157)202)193-142(231)104(58-84-30-19-17-20-31-84)183-137(226)100(47-52-119(211)212)177-134(223)95-37-26-28-54-161-113(203)49-44-98(135(224)175-97(43-48-111(156)201)133(222)170-79(11)126(215)169-80(12)127(216)174-95)176-136(225)99(46-51-118(209)210)178-138(227)101(56-74(2)3)181-139(228)103(60-86-39-41-89(200)42-40-86)184-145(234)108(70-195)187-147(236)110(72-197)188-149(238)122(77(8)9)192-144(233)107(63-120(213)214)185-146(235)109(71-196)189-152(241)125(83(15)199)194-143(232)105(59-85-32-21-18-22-33-85)186-151(240)124(82(14)198)190-116(206)69-167-132(221)96(45-50-117(207)208)173-114(204)67-165-129(218)91(155)62-88-65-160-73-168-88/h17-24,30-35,39-42,64-65,73-83,91,93-110,121-125,163,195-200H,16,25-29,36-38,43-63,66-72,154-155H2,1-15H3,(H2,156,201)(H2,157,202)(H,160,168)(H,161,203)(H,164,219)(H,165,218)(H,166,220)(H,167,221)(H,169,215)(H,170,222)(H,171,239)(H,172,205)(H,173,204)(H,174,216)(H,175,224)(H,176,225)(H,177,223)(H,178,227)(H,179,237)(H,180,217)(H,181,228)(H,182,229)(H,183,226)(H,184,234)(H,185,235)(H,186,240)(H,187,236)(H,188,238)(H,189,241)(H,190,206)(H,191,230)(H,192,233)(H,193,231)(H,194,232)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H4,158,159,162)/t78-,79-,80-,81-,82-,83-,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,121-,122-,123-,124-,125-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 2.10n/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