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BDBM50184058 CHEMBL3823876

SMILES: CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=XIWMYTSMJXNDGG-DGWOXWAHSA-N

Data: 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 2 hits for monomerid = 50184058   
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))		BDBM50184058
PNG
(CHEMBL3823876)
Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C156H235N41O47/c1-18-22-44-94(177-135(224)97(49-51-118(207)208)178-143(232)108(65-120(211)212)189-150(239)112(73-199)192-139(228)101(57-85-37-26-23-27-38-85)184-149(238)111(72-198)174-117(206)71-169-132(221)107(64-119(209)210)173-116(205)70-168-131(220)91(158)61-89-69-165-74-170-89)133(222)182-103(59-87-41-30-25-31-42-87)148(237)197-127(84(17)201)155(244)195-125(80(13)21-4)153(242)190-99(55-76(7)8)138(227)188-110(67-122(215)216)145(234)186-105(62-114(160)203)141(230)180-98(54-75(5)6)137(226)172-81(14)129(218)171-82(15)130(219)176-95(47-36-53-166-156(163)164)134(223)187-109(66-121(213)214)144(233)183-102(58-86-39-28-24-29-40-86)147(236)194-124(79(12)20-3)152(241)191-106(63-115(161)204)142(231)185-104(60-88-68-167-92-45-33-32-43-90(88)92)140(229)181-100(56-77(9)10)146(235)193-123(78(11)19-2)151(240)179-96(48-50-113(159)202)136(225)196-126(83(16)200)154(243)175-93(128(162)217)46-34-35-52-157/h23-33,37-43,45,68-69,74-84,91,93-112,123-127,167,198-201H,18-22,34-36,44,46-67,70-73,157-158H2,1-17H3,(H2,159,202)(H2,160,203)(H2,161,204)(H2,162,217)(H,165,170)(H,168,220)(H,169,221)(H,171,218)(H,172,226)(H,173,205)(H,174,206)(H,175,243)(H,176,219)(H,177,224)(H,178,232)(H,179,240)(H,180,230)(H,181,229)(H,182,222)(H,183,233)(H,184,238)(H,185,231)(H,186,234)(H,187,223)(H,188,227)(H,189,239)(H,190,242)(H,191,241)(H,192,228)(H,193,235)(H,194,236)(H,195,244)(H,196,225)(H,197,237)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H4,163,164,166)/t78-,79-,80-,81-,82-,83+,84+,91-,93-,94?,95-,96-,97-,98-,99-,100-,101-,102-,103+,104-,105-,106-,107-,108-,109-,110-,111-,112-,123-,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 120n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in HEK293 cells after 5 hrs by luciferase reporter gene assay

J Med Chem 59: 3129-39 (2016)


BindingDB Entry DOI: 10.7270/Q23R0VT7
More data for this
Ligand-Target Pair
Glucagon-like peptide 2 receptor


(Homo sapiens (Human))		BDBM50184058
PNG
(CHEMBL3823876)
Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C156H235N41O47/c1-18-22-44-94(177-135(224)97(49-51-118(207)208)178-143(232)108(65-120(211)212)189-150(239)112(73-199)192-139(228)101(57-85-37-26-23-27-38-85)184-149(238)111(72-198)174-117(206)71-169-132(221)107(64-119(209)210)173-116(205)70-168-131(220)91(158)61-89-69-165-74-170-89)133(222)182-103(59-87-41-30-25-31-42-87)148(237)197-127(84(17)201)155(244)195-125(80(13)21-4)153(242)190-99(55-76(7)8)138(227)188-110(67-122(215)216)145(234)186-105(62-114(160)203)141(230)180-98(54-75(5)6)137(226)172-81(14)129(218)171-82(15)130(219)176-95(47-36-53-166-156(163)164)134(223)187-109(66-121(213)214)144(233)183-102(58-86-39-28-24-29-40-86)147(236)194-124(79(12)20-3)152(241)191-106(63-115(161)204)142(231)185-104(60-88-68-167-92-45-33-32-43-90(88)92)140(229)181-100(56-77(9)10)146(235)193-123(78(11)19-2)151(240)179-96(48-50-113(159)202)136(225)196-126(83(16)200)154(243)175-93(128(162)217)46-34-35-52-157/h23-33,37-43,45,68-69,74-84,91,93-112,123-127,167,198-201H,18-22,34-36,44,46-67,70-73,157-158H2,1-17H3,(H2,159,202)(H2,160,203)(H2,161,204)(H2,162,217)(H,165,170)(H,168,220)(H,169,221)(H,171,218)(H,172,226)(H,173,205)(H,174,206)(H,175,243)(H,176,219)(H,177,224)(H,178,232)(H,179,240)(H,180,230)(H,181,229)(H,182,222)(H,183,233)(H,184,238)(H,185,231)(H,186,234)(H,187,223)(H,188,227)(H,189,239)(H,190,242)(H,191,241)(H,192,228)(H,193,235)(H,194,236)(H,195,244)(H,196,225)(H,197,237)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H4,163,164,166)/t78-,79-,80-,81-,82-,83+,84+,91-,93-,94?,95-,96-,97-,98-,99-,100-,101-,102-,103+,104-,105-,106-,107-,108-,109-,110-,111-,112-,123-,124-,125-,126-,127-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 0.0900n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GLP2R expressed in HEK293 cells after 5 hrs by luciferase reporter gene assay

J Med Chem 59: 3129-39 (2016)


BindingDB Entry DOI: 10.7270/Q23R0VT7
More data for this
Ligand-Target Pair