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BDBM50231885 CHEMBL4104225

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]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](N)Cc2cnc[nH]2)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)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=XHGRDYVFPGZPGA-YGCYTJROSA-N

Data: 1 KI  2 EC50

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 = 50231885   
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))		BDBM50231885
PNG
(CHEMBL4104225)
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]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](N)Cc2cnc[nH]2)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)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/C155H234N42O46/c1-15-81(10)126(153(242)174-84(13)130(219)184-109(64-89-67-166-94-36-23-22-35-92(89)94)144(233)186-105(60-78(4)5)145(234)195-124(79(6)7)151(240)183-96(37-24-27-55-156)133(222)168-70-117(206)175-95(40-30-58-165-155(161)162)132(221)167-69-115(160)204)197-146(235)108(62-87-33-20-17-21-34-87)187-139(228)103(49-54-122(213)214)181-137(226)97(38-25-28-56-157)177-129(218)83(12)172-128(217)82(11)173-136(225)101(45-50-114(159)203)176-118(207)71-169-135(224)100(48-53-121(211)212)180-141(230)104(59-77(2)3)185-143(232)106(63-88-41-43-91(202)44-42-88)188-148(237)112(74-199)192-150(239)113(75-200)193-152(241)125(80(8)9)196-147(236)110(66-123(215)216)189-149(238)111(73-198)191-140(229)102-46-51-116(205)164-57-29-26-39-98(178-131(220)93(158)65-90-68-163-76-171-90)138(227)179-99(47-52-120(209)210)134(223)170-72-119(208)194-127(85(14)201)154(243)190-107(142(231)182-102)61-86-31-18-16-19-32-86/h16-23,31-36,41-44,67-68,76-85,93,95-113,124-127,166,198-202H,15,24-30,37-40,45-66,69-75,156-158H2,1-14H3,(H2,159,203)(H2,160,204)(H,163,171)(H,164,205)(H,167,221)(H,168,222)(H,169,224)(H,170,223)(H,172,217)(H,173,225)(H,174,242)(H,175,206)(H,176,207)(H,177,218)(H,178,220)(H,179,227)(H,180,230)(H,181,226)(H,182,231)(H,183,240)(H,184,219)(H,185,232)(H,186,233)(H,187,228)(H,188,237)(H,189,238)(H,190,243)(H,191,229)(H,192,239)(H,193,241)(H,194,208)(H,195,234)(H,196,236)(H,197,235)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H4,161,162,165)/t81-,82-,83-,84-,85+,93-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,124-,125-,126-,127-/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


(Homo sapiens (Human))		BDBM50231885
PNG
(CHEMBL4104225)
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]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](N)Cc2cnc[nH]2)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)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/C155H234N42O46/c1-15-81(10)126(153(242)174-84(13)130(219)184-109(64-89-67-166-94-36-23-22-35-92(89)94)144(233)186-105(60-78(4)5)145(234)195-124(79(6)7)151(240)183-96(37-24-27-55-156)133(222)168-70-117(206)175-95(40-30-58-165-155(161)162)132(221)167-69-115(160)204)197-146(235)108(62-87-33-20-17-21-34-87)187-139(228)103(49-54-122(213)214)181-137(226)97(38-25-28-56-157)177-129(218)83(12)172-128(217)82(11)173-136(225)101(45-50-114(159)203)176-118(207)71-169-135(224)100(48-53-121(211)212)180-141(230)104(59-77(2)3)185-143(232)106(63-88-41-43-91(202)44-42-88)188-148(237)112(74-199)192-150(239)113(75-200)193-152(241)125(80(8)9)196-147(236)110(66-123(215)216)189-149(238)111(73-198)191-140(229)102-46-51-116(205)164-57-29-26-39-98(178-131(220)93(158)65-90-68-163-76-171-90)138(227)179-99(47-52-120(209)210)134(223)170-72-119(208)194-127(85(14)201)154(243)190-107(142(231)182-102)61-86-31-18-16-19-32-86/h16-23,31-36,41-44,67-68,76-85,93,95-113,124-127,166,198-202H,15,24-30,37-40,45-66,69-75,156-158H2,1-14H3,(H2,159,203)(H2,160,204)(H,163,171)(H,164,205)(H,167,221)(H,168,222)(H,169,224)(H,170,223)(H,172,217)(H,173,225)(H,174,242)(H,175,206)(H,176,207)(H,177,218)(H,178,220)(H,179,227)(H,180,230)(H,181,226)(H,182,231)(H,183,240)(H,184,219)(H,185,232)(H,186,233)(H,187,228)(H,188,237)(H,189,238)(H,190,243)(H,191,229)(H,192,239)(H,193,241)(H,194,208)(H,195,234)(H,196,236)(H,197,235)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H4,161,162,165)/t81-,82-,83-,84-,85+,93-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,124-,125-,126-,127-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
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))		BDBM50231885
PNG
(CHEMBL4104225)
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]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](N)Cc2cnc[nH]2)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)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/C155H234N42O46/c1-15-81(10)126(153(242)174-84(13)130(219)184-109(64-89-67-166-94-36-23-22-35-92(89)94)144(233)186-105(60-78(4)5)145(234)195-124(79(6)7)151(240)183-96(37-24-27-55-156)133(222)168-70-117(206)175-95(40-30-58-165-155(161)162)132(221)167-69-115(160)204)197-146(235)108(62-87-33-20-17-21-34-87)187-139(228)103(49-54-122(213)214)181-137(226)97(38-25-28-56-157)177-129(218)83(12)172-128(217)82(11)173-136(225)101(45-50-114(159)203)176-118(207)71-169-135(224)100(48-53-121(211)212)180-141(230)104(59-77(2)3)185-143(232)106(63-88-41-43-91(202)44-42-88)188-148(237)112(74-199)192-150(239)113(75-200)193-152(241)125(80(8)9)196-147(236)110(66-123(215)216)189-149(238)111(73-198)191-140(229)102-46-51-116(205)164-57-29-26-39-98(178-131(220)93(158)65-90-68-163-76-171-90)138(227)179-99(47-52-120(209)210)134(223)170-72-119(208)194-127(85(14)201)154(243)190-107(142(231)182-102)61-86-31-18-16-19-32-86/h16-23,31-36,41-44,67-68,76-85,93,95-113,124-127,166,198-202H,15,24-30,37-40,45-66,69-75,156-158H2,1-14H3,(H2,159,203)(H2,160,204)(H,163,171)(H,164,205)(H,167,221)(H,168,222)(H,169,224)(H,170,223)(H,172,217)(H,173,225)(H,174,242)(H,175,206)(H,176,207)(H,177,218)(H,178,220)(H,179,227)(H,180,230)(H,181,226)(H,182,231)(H,183,240)(H,184,219)(H,185,232)(H,186,233)(H,187,228)(H,188,237)(H,189,238)(H,190,243)(H,191,229)(H,192,239)(H,193,241)(H,194,208)(H,195,234)(H,196,236)(H,197,235)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H4,161,162,165)/t81-,82-,83-,84-,85+,93-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,124-,125-,126-,127-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
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