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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]1CSC(=O)CN[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N1)[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](CCCNC(N)=N)C(=O)NCC(N)=O

InChI Key: InChIKey=OHFCDCNSMZTRNV-FSNAXOAFSA-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 3 hits for monomerid = 50231883   
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))		BDBM50231883
PNG
(CHEMBL4101821)
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]1CSC(=O)CN[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N1)[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](CCCNC(N)=N)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C152H227N41O46S/c1-16-78(10)123(150(238)171-82(14)128(216)180-105(59-87-62-161-91-35-24-23-34-90(87)91)139(227)182-101(55-75(4)5)140(228)190-121(76(6)7)148(236)179-93(36-25-27-51-153)130(218)164-65-113(201)172-92(38-29-53-160-152(157)158)129(217)163-64-112(156)200)192-141(229)103(56-84-30-19-17-20-31-84)183-135(223)98(46-50-118(208)209)178-134(222)94(37-26-28-52-154)175-126(214)80(12)168-125(213)79(11)169-133(221)97(43-47-111(155)199)173-114(202)66-165-132(220)96(45-49-117(206)207)177-137(225)100(54-74(2)3)181-138(226)102(58-86-39-41-89(198)42-40-86)184-144(232)107(69-194)187-146(234)109(71-196)188-149(237)122(77(8)9)191-143(231)106(61-119(210)211)186-145(233)108(70-195)189-151(239)124(83(15)197)193-142(230)104(57-85-32-21-18-22-33-85)185-147(235)110-72-240-120(212)68-162-99(60-88-63-159-73-167-88)136(224)170-81(13)127(215)176-95(44-48-116(204)205)131(219)166-67-115(203)174-110/h17-24,30-35,39-42,62-63,73-83,92-110,121-124,161-162,194-198H,16,25-29,36-38,43-61,64-72,153-154H2,1-15H3,(H2,155,199)(H2,156,200)(H,159,167)(H,163,217)(H,164,218)(H,165,220)(H,166,219)(H,168,213)(H,169,221)(H,170,224)(H,171,238)(H,172,201)(H,173,202)(H,174,203)(H,175,214)(H,176,215)(H,177,225)(H,178,222)(H,179,236)(H,180,216)(H,181,226)(H,182,227)(H,183,223)(H,184,232)(H,185,235)(H,186,233)(H,187,234)(H,188,237)(H,189,239)(H,190,228)(H,191,231)(H,192,229)(H,193,230)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,157,158,160)/t78-,79-,80-,81-,82-,83+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,121-,122-,123-,124-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>50n/an/an/an/an/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
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50231883
PNG
(CHEMBL4101821)
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]1CSC(=O)CN[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N1)[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](CCCNC(N)=N)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C152H227N41O46S/c1-16-78(10)123(150(238)171-82(14)128(216)180-105(59-87-62-161-91-35-24-23-34-90(87)91)139(227)182-101(55-75(4)5)140(228)190-121(76(6)7)148(236)179-93(36-25-27-51-153)130(218)164-65-113(201)172-92(38-29-53-160-152(157)158)129(217)163-64-112(156)200)192-141(229)103(56-84-30-19-17-20-31-84)183-135(223)98(46-50-118(208)209)178-134(222)94(37-26-28-52-154)175-126(214)80(12)168-125(213)79(11)169-133(221)97(43-47-111(155)199)173-114(202)66-165-132(220)96(45-49-117(206)207)177-137(225)100(54-74(2)3)181-138(226)102(58-86-39-41-89(198)42-40-86)184-144(232)107(69-194)187-146(234)109(71-196)188-149(237)122(77(8)9)191-143(231)106(61-119(210)211)186-145(233)108(70-195)189-151(239)124(83(15)197)193-142(230)104(57-85-32-21-18-22-33-85)185-147(235)110-72-240-120(212)68-162-99(60-88-63-159-73-167-88)136(224)170-81(13)127(215)176-95(44-48-116(204)205)131(219)166-67-115(203)174-110/h17-24,30-35,39-42,62-63,73-83,92-110,121-124,161-162,194-198H,16,25-29,36-38,43-61,64-72,153-154H2,1-15H3,(H2,155,199)(H2,156,200)(H,159,167)(H,163,217)(H,164,218)(H,165,220)(H,166,219)(H,168,213)(H,169,221)(H,170,224)(H,171,238)(H,172,201)(H,173,202)(H,174,203)(H,175,214)(H,176,215)(H,177,225)(H,178,222)(H,179,236)(H,180,216)(H,181,226)(H,182,227)(H,183,223)(H,184,232)(H,185,235)(H,186,233)(H,187,234)(H,188,237)(H,189,239)(H,190,228)(H,191,231)(H,192,229)(H,193,230)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,157,158,160)/t78-,79-,80-,81-,82-,83+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,121-,122-,123-,124-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a>1.00E+4n/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))		BDBM50231883
PNG
(CHEMBL4101821)
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]1CSC(=O)CN[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N1)[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](CCCNC(N)=N)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C152H227N41O46S/c1-16-78(10)123(150(238)171-82(14)128(216)180-105(59-87-62-161-91-35-24-23-34-90(87)91)139(227)182-101(55-75(4)5)140(228)190-121(76(6)7)148(236)179-93(36-25-27-51-153)130(218)164-65-113(201)172-92(38-29-53-160-152(157)158)129(217)163-64-112(156)200)192-141(229)103(56-84-30-19-17-20-31-84)183-135(223)98(46-50-118(208)209)178-134(222)94(37-26-28-52-154)175-126(214)80(12)168-125(213)79(11)169-133(221)97(43-47-111(155)199)173-114(202)66-165-132(220)96(45-49-117(206)207)177-137(225)100(54-74(2)3)181-138(226)102(58-86-39-41-89(198)42-40-86)184-144(232)107(69-194)187-146(234)109(71-196)188-149(237)122(77(8)9)191-143(231)106(61-119(210)211)186-145(233)108(70-195)189-151(239)124(83(15)197)193-142(230)104(57-85-32-21-18-22-33-85)185-147(235)110-72-240-120(212)68-162-99(60-88-63-159-73-167-88)136(224)170-81(13)127(215)176-95(44-48-116(204)205)131(219)166-67-115(203)174-110/h17-24,30-35,39-42,62-63,73-83,92-110,121-124,161-162,194-198H,16,25-29,36-38,43-61,64-72,153-154H2,1-15H3,(H2,155,199)(H2,156,200)(H,159,167)(H,163,217)(H,164,218)(H,165,220)(H,166,219)(H,168,213)(H,169,221)(H,170,224)(H,171,238)(H,172,201)(H,173,202)(H,174,203)(H,175,214)(H,176,215)(H,177,225)(H,178,222)(H,179,236)(H,180,216)(H,181,226)(H,182,227)(H,183,223)(H,184,232)(H,185,235)(H,186,233)(H,187,234)(H,188,237)(H,189,239)(H,190,228)(H,191,231)(H,192,229)(H,193,230)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,157,158,160)/t78-,79-,80-,81-,82-,83+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,121-,122-,123-,124-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a>1.00E+4n/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