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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]1CCCN1C(=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)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O

InChI Key: InChIKey=CMRCRTCJZXAUCX-JZVAPZSISA-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 4 hits for monomerid = 50231963   
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))
BDBM50231963
PNG
(CHEMBL4104146)
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]1CCCN1C(=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)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C152H227N41O45/c1-16-78(10)122(148(235)176-95-38-26-28-52-160-113(202)62-104(131(218)165-67-114(203)171-93(39-29-53-161-152(157)158)129(216)163-66-112(156)201)183-146(233)120(76(6)7)189-138(225)99(55-74(2)3)177-137(224)103(180-134(95)221)60-87-64-162-92-36-24-23-35-90(87)92)191-139(226)101(57-84-31-19-17-20-32-84)178-135(222)98(47-50-118(208)209)175-133(220)94(37-25-27-51-153)173-126(213)80(12)168-125(212)79(11)170-132(219)97(45-48-111(155)200)172-115(204)68-166-145(232)110-40-30-54-193(110)151(238)106(56-75(4)5)184-136(223)100(59-86-41-43-89(199)44-42-86)179-142(229)107(70-194)185-144(231)109(72-196)186-147(234)121(77(8)9)190-141(228)105(63-119(210)211)181-143(230)108(71-195)187-150(237)124(83(15)198)192-140(227)102(58-85-33-21-18-22-34-85)182-149(236)123(82(14)197)188-116(205)69-164-130(217)96(46-49-117(206)207)174-127(214)81(13)169-128(215)91(154)61-88-65-159-73-167-88/h17-24,31-36,41-44,64-65,73-83,91,93-110,120-124,162,194-199H,16,25-30,37-40,45-63,66-72,153-154H2,1-15H3,(H2,155,200)(H2,156,201)(H,159,167)(H,160,202)(H,163,216)(H,164,217)(H,165,218)(H,166,232)(H,168,212)(H,169,215)(H,170,219)(H,171,203)(H,172,204)(H,173,213)(H,174,214)(H,175,220)(H,176,235)(H,177,224)(H,178,222)(H,179,229)(H,180,221)(H,181,230)(H,182,236)(H,183,233)(H,184,223)(H,185,231)(H,186,234)(H,187,237)(H,188,205)(H,189,225)(H,190,228)(H,191,226)(H,192,227)(H,206,207)(H,208,209)(H,210,211)(H4,157,158,161)/t78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,120-,121-,122-,123-,124-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>50n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO cell membranes incubated for 30 mins measured after 10 hrs by scintil...


Eur J Med Chem 127: 703-714 (2017)


BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Rattus norvegicus)
BDBM50231963
PNG
(CHEMBL4104146)
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]1CCCN1C(=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)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C152H227N41O45/c1-16-78(10)122(148(235)176-95-38-26-28-52-160-113(202)62-104(131(218)165-67-114(203)171-93(39-29-53-161-152(157)158)129(216)163-66-112(156)201)183-146(233)120(76(6)7)189-138(225)99(55-74(2)3)177-137(224)103(180-134(95)221)60-87-64-162-92-36-24-23-35-90(87)92)191-139(226)101(57-84-31-19-17-20-32-84)178-135(222)98(47-50-118(208)209)175-133(220)94(37-25-27-51-153)173-126(213)80(12)168-125(212)79(11)170-132(219)97(45-48-111(155)200)172-115(204)68-166-145(232)110-40-30-54-193(110)151(238)106(56-75(4)5)184-136(223)100(59-86-41-43-89(199)44-42-86)179-142(229)107(70-194)185-144(231)109(72-196)186-147(234)121(77(8)9)190-141(228)105(63-119(210)211)181-143(230)108(71-195)187-150(237)124(83(15)198)192-140(227)102(58-85-33-21-18-22-34-85)182-149(236)123(82(14)197)188-116(205)69-164-130(217)96(46-49-117(206)207)174-127(214)81(13)169-128(215)91(154)61-88-65-159-73-167-88/h17-24,31-36,41-44,64-65,73-83,91,93-110,120-124,162,194-199H,16,25-30,37-40,45-63,66-72,153-154H2,1-15H3,(H2,155,200)(H2,156,201)(H,159,167)(H,160,202)(H,163,216)(H,164,217)(H,165,218)(H,166,232)(H,168,212)(H,169,215)(H,170,219)(H,171,203)(H,172,204)(H,173,213)(H,174,214)(H,175,220)(H,176,235)(H,177,224)(H,178,222)(H,179,229)(H,180,221)(H,181,230)(H,182,236)(H,183,233)(H,184,223)(H,185,231)(H,186,234)(H,187,237)(H,188,205)(H,189,225)(H,190,228)(H,191,226)(H,192,227)(H,206,207)(H,208,209)(H,210,211)(H4,157,158,161)/t78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,120-,121-,122-,123-,124-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 130n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at GLP1R in rat INS-1 cells assessed as increase in glucose-stimulated insulin secretion after 1 hr by HTRF assay


Eur J Med Chem 127: 703-714 (2017)


BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50231963
PNG
(CHEMBL4104146)
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]1CCCN1C(=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)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C152H227N41O45/c1-16-78(10)122(148(235)176-95-38-26-28-52-160-113(202)62-104(131(218)165-67-114(203)171-93(39-29-53-161-152(157)158)129(216)163-66-112(156)201)183-146(233)120(76(6)7)189-138(225)99(55-74(2)3)177-137(224)103(180-134(95)221)60-87-64-162-92-36-24-23-35-90(87)92)191-139(226)101(57-84-31-19-17-20-32-84)178-135(222)98(47-50-118(208)209)175-133(220)94(37-25-27-51-153)173-126(213)80(12)168-125(212)79(11)170-132(219)97(45-48-111(155)200)172-115(204)68-166-145(232)110-40-30-54-193(110)151(238)106(56-75(4)5)184-136(223)100(59-86-41-43-89(199)44-42-86)179-142(229)107(70-194)185-144(231)109(72-196)186-147(234)121(77(8)9)190-141(228)105(63-119(210)211)181-143(230)108(71-195)187-150(237)124(83(15)198)192-140(227)102(58-85-33-21-18-22-34-85)182-149(236)123(82(14)197)188-116(205)69-164-130(217)96(46-49-117(206)207)174-127(214)81(13)169-128(215)91(154)61-88-65-159-73-167-88/h17-24,31-36,41-44,64-65,73-83,91,93-110,120-124,162,194-199H,16,25-30,37-40,45-63,66-72,153-154H2,1-15H3,(H2,155,200)(H2,156,201)(H,159,167)(H,160,202)(H,163,216)(H,164,217)(H,165,218)(H,166,232)(H,168,212)(H,169,215)(H,170,219)(H,171,203)(H,172,204)(H,173,213)(H,174,214)(H,175,220)(H,176,235)(H,177,224)(H,178,222)(H,179,229)(H,180,221)(H,181,230)(H,182,236)(H,183,233)(H,184,223)(H,185,231)(H,186,234)(H,187,237)(H,188,205)(H,189,225)(H,190,228)(H,191,226)(H,192,227)(H,206,207)(H,208,209)(H,210,211)(H4,157,158,161)/t78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,120-,121-,122-,123-,124-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHOK1 cells assessed as induction of beta-galactosidase-tagged beta-arrestin2 recruitment incubated for ...


Eur J Med Chem 127: 703-714 (2017)


BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50231963
PNG
(CHEMBL4104146)
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]1CCCN1C(=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)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C152H227N41O45/c1-16-78(10)122(148(235)176-95-38-26-28-52-160-113(202)62-104(131(218)165-67-114(203)171-93(39-29-53-161-152(157)158)129(216)163-66-112(156)201)183-146(233)120(76(6)7)189-138(225)99(55-74(2)3)177-137(224)103(180-134(95)221)60-87-64-162-92-36-24-23-35-90(87)92)191-139(226)101(57-84-31-19-17-20-32-84)178-135(222)98(47-50-118(208)209)175-133(220)94(37-25-27-51-153)173-126(213)80(12)168-125(212)79(11)170-132(219)97(45-48-111(155)200)172-115(204)68-166-145(232)110-40-30-54-193(110)151(238)106(56-75(4)5)184-136(223)100(59-86-41-43-89(199)44-42-86)179-142(229)107(70-194)185-144(231)109(72-196)186-147(234)121(77(8)9)190-141(228)105(63-119(210)211)181-143(230)108(71-195)187-150(237)124(83(15)198)192-140(227)102(58-85-33-21-18-22-34-85)182-149(236)123(82(14)197)188-116(205)69-164-130(217)96(46-49-117(206)207)174-127(214)81(13)169-128(215)91(154)61-88-65-159-73-167-88/h17-24,31-36,41-44,64-65,73-83,91,93-110,120-124,162,194-199H,16,25-30,37-40,45-63,66-72,153-154H2,1-15H3,(H2,155,200)(H2,156,201)(H,159,167)(H,160,202)(H,163,216)(H,164,217)(H,165,218)(H,166,232)(H,168,212)(H,169,215)(H,170,219)(H,171,203)(H,172,204)(H,173,213)(H,174,214)(H,175,220)(H,176,235)(H,177,224)(H,178,222)(H,179,229)(H,180,221)(H,181,230)(H,182,236)(H,183,233)(H,184,223)(H,185,231)(H,186,234)(H,187,237)(H,188,205)(H,189,225)(H,190,228)(H,191,226)(H,192,227)(H,206,207)(H,208,209)(H,210,211)(H4,157,158,161)/t78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,120-,121-,122-,123-,124-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 20n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by LANCE assay


Eur J Med Chem 127: 703-714 (2017)


BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair