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BDBM50183654 CHEMBL3823835

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(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)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=LIMUITQZTIHEHW-PYNTZIQSSA-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 = 50183654   
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))		BDBM50183654
PNG
(CHEMBL3823835)
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(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)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/C159H242N40O47/c1-20-24-46-97(177-137(225)100(51-53-120(209)210)178-145(233)111(67-122(213)214)190-152(240)115(75-201)193-142(230)105(60-88-39-28-25-29-40-88)186-151(239)114(74-200)175-119(208)73-171-134(222)110(66-121(211)212)174-118(207)72-170-133(221)94(161)64-92-71-167-76-172-92)135(223)184-107(62-90-43-32-27-33-44-90)150(238)199-130(87(19)204)158(246)196-127(83(15)23-4)155(243)191-103(58-79(9)10)141(229)189-113(69-124(217)218)146(234)182-102(57-78(7)8)140(228)181-101(56-77(5)6)139(227)173-84(16)132(220)197-128(85(17)202)157(245)179-98(49-38-55-168-159(165)166)136(224)188-112(68-123(215)216)147(235)185-106(61-89-41-30-26-31-42-89)149(237)195-126(82(14)22-3)154(242)192-109(65-117(163)206)144(232)187-108(63-91-70-169-95-47-35-34-45-93(91)95)143(231)183-104(59-80(11)12)148(236)194-125(81(13)21-2)153(241)180-99(50-52-116(162)205)138(226)198-129(86(18)203)156(244)176-96(131(164)219)48-36-37-54-160/h25-35,39-45,47,70-71,76-87,94,96-115,125-130,169,200-204H,20-24,36-38,46,48-69,72-75,160-161H2,1-19H3,(H2,162,205)(H2,163,206)(H2,164,219)(H,167,172)(H,170,221)(H,171,222)(H,173,227)(H,174,207)(H,175,208)(H,176,244)(H,177,225)(H,178,233)(H,179,245)(H,180,241)(H,181,228)(H,182,234)(H,183,231)(H,184,223)(H,185,235)(H,186,239)(H,187,232)(H,188,224)(H,189,229)(H,190,240)(H,191,243)(H,192,242)(H,193,230)(H,194,236)(H,195,237)(H,196,246)(H,197,220)(H,198,226)(H,199,238)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H4,165,166,168)/t81-,82-,83-,84-,85+,86+,87+,94-,96-,97?,98-,99-,100-,101-,102-,103-,104-,105-,106-,107+,108-,109-,110-,111-,112-,113-,114-,115-,125-,126-,127-,128-,129-,130-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 130n/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))		BDBM50183654
PNG
(CHEMBL3823835)
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(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)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/C159H242N40O47/c1-20-24-46-97(177-137(225)100(51-53-120(209)210)178-145(233)111(67-122(213)214)190-152(240)115(75-201)193-142(230)105(60-88-39-28-25-29-40-88)186-151(239)114(74-200)175-119(208)73-171-134(222)110(66-121(211)212)174-118(207)72-170-133(221)94(161)64-92-71-167-76-172-92)135(223)184-107(62-90-43-32-27-33-44-90)150(238)199-130(87(19)204)158(246)196-127(83(15)23-4)155(243)191-103(58-79(9)10)141(229)189-113(69-124(217)218)146(234)182-102(57-78(7)8)140(228)181-101(56-77(5)6)139(227)173-84(16)132(220)197-128(85(17)202)157(245)179-98(49-38-55-168-159(165)166)136(224)188-112(68-123(215)216)147(235)185-106(61-89-41-30-26-31-42-89)149(237)195-126(82(14)22-3)154(242)192-109(65-117(163)206)144(232)187-108(63-91-70-169-95-47-35-34-45-93(91)95)143(231)183-104(59-80(11)12)148(236)194-125(81(13)21-2)153(241)180-99(50-52-116(162)205)138(226)198-129(86(18)203)156(244)176-96(131(164)219)48-36-37-54-160/h25-35,39-45,47,70-71,76-87,94,96-115,125-130,169,200-204H,20-24,36-38,46,48-69,72-75,160-161H2,1-19H3,(H2,162,205)(H2,163,206)(H2,164,219)(H,167,172)(H,170,221)(H,171,222)(H,173,227)(H,174,207)(H,175,208)(H,176,244)(H,177,225)(H,178,233)(H,179,245)(H,180,241)(H,181,228)(H,182,234)(H,183,231)(H,184,223)(H,185,235)(H,186,239)(H,187,232)(H,188,224)(H,189,229)(H,190,240)(H,191,243)(H,192,242)(H,193,230)(H,194,236)(H,195,237)(H,196,246)(H,197,220)(H,198,226)(H,199,238)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H4,165,166,168)/t81-,82-,83-,84-,85+,86+,87+,94-,96-,97?,98-,99-,100-,101-,102-,103-,104-,105-,106-,107+,108-,109-,110-,111-,112-,113-,114-,115-,125-,126-,127-,128-,129-,130-/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 0.0400n/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