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BDBM50183577 CHEMBL3822636

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](CC(N)=O)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](Cc1ccc(O)cc1)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=UKHNUGKXVHFMOX-MSCOKBHWSA-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 = 50183577   
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))		BDBM50183577
PNG
(CHEMBL3822636)
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](CC(N)=O)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](Cc1ccc(O)cc1)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/C156H235N41O48/c1-18-22-39-94(177-135(225)97(48-50-118(208)209)178-143(233)108(64-120(212)213)189-150(240)112(72-199)192-140(230)101(56-84-34-25-23-26-35-84)184-149(239)111(71-198)174-117(207)70-169-132(222)107(63-119(210)211)173-116(206)69-168-131(221)91(158)60-88-68-165-73-170-88)133(223)186-106(62-115(161)205)148(238)197-127(83(17)201)155(245)195-125(79(13)21-4)153(243)190-99(54-75(7)8)138(228)188-110(66-122(216)217)145(235)182-102(58-86-43-45-89(202)46-44-86)139(229)180-98(53-74(5)6)137(227)172-80(14)129(219)171-81(15)130(220)176-95(42-33-52-166-156(163)164)134(224)187-109(65-121(214)215)144(234)183-103(57-85-36-27-24-28-37-85)147(237)194-124(78(12)20-3)152(242)191-105(61-114(160)204)142(232)185-104(59-87-67-167-92-40-30-29-38-90(87)92)141(231)181-100(55-76(9)10)146(236)193-123(77(11)19-2)151(241)179-96(47-49-113(159)203)136(226)196-126(82(16)200)154(244)175-93(128(162)218)41-31-32-51-157/h23-30,34-38,40,43-46,67-68,73-83,91,93-112,123-127,167,198-202H,18-22,31-33,39,41-42,47-66,69-72,157-158H2,1-17H3,(H2,159,203)(H2,160,204)(H2,161,205)(H2,162,218)(H,165,170)(H,168,221)(H,169,222)(H,171,219)(H,172,227)(H,173,206)(H,174,207)(H,175,244)(H,176,220)(H,177,225)(H,178,233)(H,179,241)(H,180,229)(H,181,231)(H,182,235)(H,183,234)(H,184,239)(H,185,232)(H,186,223)(H,187,224)(H,188,228)(H,189,240)(H,190,243)(H,191,242)(H,192,230)(H,193,236)(H,194,237)(H,195,245)(H,196,226)(H,197,238)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H4,163,164,166)/t77-,78-,79-,80-,81-,82+,83+,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>1.00E+3n/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))		BDBM50183577
PNG
(CHEMBL3822636)
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](CC(N)=O)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](Cc1ccc(O)cc1)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/C156H235N41O48/c1-18-22-39-94(177-135(225)97(48-50-118(208)209)178-143(233)108(64-120(212)213)189-150(240)112(72-199)192-140(230)101(56-84-34-25-23-26-35-84)184-149(239)111(71-198)174-117(207)70-169-132(222)107(63-119(210)211)173-116(206)69-168-131(221)91(158)60-88-68-165-73-170-88)133(223)186-106(62-115(161)205)148(238)197-127(83(17)201)155(245)195-125(79(13)21-4)153(243)190-99(54-75(7)8)138(228)188-110(66-122(216)217)145(235)182-102(58-86-43-45-89(202)46-44-86)139(229)180-98(53-74(5)6)137(227)172-80(14)129(219)171-81(15)130(220)176-95(42-33-52-166-156(163)164)134(224)187-109(65-121(214)215)144(234)183-103(57-85-36-27-24-28-37-85)147(237)194-124(78(12)20-3)152(242)191-105(61-114(160)204)142(232)185-104(59-87-67-167-92-40-30-29-38-90(87)92)141(231)181-100(55-76(9)10)146(236)193-123(77(11)19-2)151(241)179-96(47-49-113(159)203)136(226)196-126(82(16)200)154(244)175-93(128(162)218)41-31-32-51-157/h23-30,34-38,40,43-46,67-68,73-83,91,93-112,123-127,167,198-202H,18-22,31-33,39,41-42,47-66,69-72,157-158H2,1-17H3,(H2,159,203)(H2,160,204)(H2,161,205)(H2,162,218)(H,165,170)(H,168,221)(H,169,222)(H,171,219)(H,172,227)(H,173,206)(H,174,207)(H,175,244)(H,176,220)(H,177,225)(H,178,233)(H,179,241)(H,180,229)(H,181,231)(H,182,235)(H,183,234)(H,184,239)(H,185,232)(H,186,223)(H,187,224)(H,188,228)(H,189,240)(H,190,243)(H,191,242)(H,192,230)(H,193,236)(H,194,237)(H,195,245)(H,196,226)(H,197,238)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H4,163,164,166)/t77-,78-,79-,80-,81-,82+,83+,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 0.110n/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