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BDBM50184306 CHEMBL3823576

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](Cc1cnc[nH]1)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=LLBLCDJVBVHYMQ-LZYMJWHJSA-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 = 50184306   
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 2 receptor


(Homo sapiens (Human))
BDBM50184306
PNG
(CHEMBL3823576)
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](Cc1cnc[nH]1)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/C153H233N43O47/c1-18-22-39-91(176-132(223)94(44-46-115(206)207)177-140(231)105(60-117(210)211)188-147(238)109(69-198)191-136(227)98(52-82-34-25-23-26-35-82)182-146(237)108(68-197)173-114(205)67-167-129(220)104(59-116(208)209)172-113(204)66-166-128(219)88(155)55-85-64-162-70-168-85)130(221)184-101(56-86-65-163-71-169-86)145(236)196-124(81(17)200)152(243)194-122(77(13)21-4)150(241)189-96(50-73(7)8)135(226)187-107(62-119(214)215)142(233)185-102(57-111(157)202)138(229)179-95(49-72(5)6)134(225)171-78(14)126(217)170-79(15)127(218)175-92(42-33-48-164-153(160)161)131(222)186-106(61-118(212)213)141(232)181-99(53-83-36-27-24-28-37-83)144(235)193-121(76(12)20-3)149(240)190-103(58-112(158)203)139(230)183-100(54-84-63-165-89-40-30-29-38-87(84)89)137(228)180-97(51-74(9)10)143(234)192-120(75(11)19-2)148(239)178-93(43-45-110(156)201)133(224)195-123(80(16)199)151(242)174-90(125(159)216)41-31-32-47-154/h23-30,34-38,40,63-65,70-81,88,90-109,120-124,165,197-200H,18-22,31-33,39,41-62,66-69,154-155H2,1-17H3,(H2,156,201)(H2,157,202)(H2,158,203)(H2,159,216)(H,162,168)(H,163,169)(H,166,219)(H,167,220)(H,170,217)(H,171,225)(H,172,204)(H,173,205)(H,174,242)(H,175,218)(H,176,223)(H,177,231)(H,178,239)(H,179,229)(H,180,228)(H,181,232)(H,182,237)(H,183,230)(H,184,221)(H,185,233)(H,186,222)(H,187,226)(H,188,238)(H,189,241)(H,190,240)(H,191,227)(H,192,234)(H,193,235)(H,194,243)(H,195,224)(H,196,236)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,160,161,164)/t75-,76-,77-,78-,79-,80+,81+,88-,90-,91?,92-,93-,94-,95-,96-,97-,98-,99-,100-,101+,102-,103-,104-,105-,106-,107-,108-,109-,120-,121-,122-,123-,124-/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 0.200n/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
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50184306
PNG
(CHEMBL3823576)
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](Cc1cnc[nH]1)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/C153H233N43O47/c1-18-22-39-91(176-132(223)94(44-46-115(206)207)177-140(231)105(60-117(210)211)188-147(238)109(69-198)191-136(227)98(52-82-34-25-23-26-35-82)182-146(237)108(68-197)173-114(205)67-167-129(220)104(59-116(208)209)172-113(204)66-166-128(219)88(155)55-85-64-162-70-168-85)130(221)184-101(56-86-65-163-71-169-86)145(236)196-124(81(17)200)152(243)194-122(77(13)21-4)150(241)189-96(50-73(7)8)135(226)187-107(62-119(214)215)142(233)185-102(57-111(157)202)138(229)179-95(49-72(5)6)134(225)171-78(14)126(217)170-79(15)127(218)175-92(42-33-48-164-153(160)161)131(222)186-106(61-118(212)213)141(232)181-99(53-83-36-27-24-28-37-83)144(235)193-121(76(12)20-3)149(240)190-103(58-112(158)203)139(230)183-100(54-84-63-165-89-40-30-29-38-87(84)89)137(228)180-97(51-74(9)10)143(234)192-120(75(11)19-2)148(239)178-93(43-45-110(156)201)133(224)195-123(80(16)199)151(242)174-90(125(159)216)41-31-32-47-154/h23-30,34-38,40,63-65,70-81,88,90-109,120-124,165,197-200H,18-22,31-33,39,41-62,66-69,154-155H2,1-17H3,(H2,156,201)(H2,157,202)(H2,158,203)(H2,159,216)(H,162,168)(H,163,169)(H,166,219)(H,167,220)(H,170,217)(H,171,225)(H,172,204)(H,173,205)(H,174,242)(H,175,218)(H,176,223)(H,177,231)(H,178,239)(H,179,229)(H,180,228)(H,181,232)(H,182,237)(H,183,230)(H,184,221)(H,185,233)(H,186,222)(H,187,226)(H,188,238)(H,189,241)(H,190,240)(H,191,227)(H,192,234)(H,193,235)(H,194,243)(H,195,224)(H,196,236)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,160,161,164)/t75-,76-,77-,78-,79-,80+,81+,88-,90-,91?,92-,93-,94-,95-,96-,97-,98-,99-,100-,101+,102-,103-,104-,105-,106-,107-,108-,109-,120-,121-,122-,123-,124-/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