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BDBM50183650 CHEMBL3823421

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](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=ZXZNVKIFFATGNJ-MNRFBCDSSA-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 = 50183650   
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))		BDBM50183650
PNG
(CHEMBL3823421)
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](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/C161H238N40O47/c1-18-22-44-100(181-140(228)103(53-55-123(211)212)182-148(236)114(69-125(215)216)193-155(243)118(77-203)196-145(233)107(61-89-37-26-23-27-38-89)189-154(242)117(76-202)178-122(210)75-173-137(225)113(68-124(213)214)177-121(209)74-172-136(224)97(163)66-94-73-169-78-174-94)138(226)186-110(63-91-41-30-25-31-42-91)153(241)201-132(88(17)205)160(248)199-130(84(13)21-4)158(246)194-105(59-80(7)8)143(231)192-116(71-127(219)220)150(238)187-108(64-92-48-50-95(206)51-49-92)144(232)184-104(58-79(5)6)142(230)176-85(14)134(222)175-86(15)135(223)180-101(47-36-57-170-161(167)168)139(227)191-115(70-126(217)218)149(237)188-109(62-90-39-28-24-29-40-90)152(240)198-129(83(12)20-3)157(245)195-112(67-120(165)208)147(235)190-111(65-93-72-171-98-45-33-32-43-96(93)98)146(234)185-106(60-81(9)10)151(239)197-128(82(11)19-2)156(244)183-102(52-54-119(164)207)141(229)200-131(87(16)204)159(247)179-99(133(166)221)46-34-35-56-162/h23-33,37-43,45,48-51,72-73,78-88,97,99-118,128-132,171,202-206H,18-22,34-36,44,46-47,52-71,74-77,162-163H2,1-17H3,(H2,164,207)(H2,165,208)(H2,166,221)(H,169,174)(H,172,224)(H,173,225)(H,175,222)(H,176,230)(H,177,209)(H,178,210)(H,179,247)(H,180,223)(H,181,228)(H,182,236)(H,183,244)(H,184,232)(H,185,234)(H,186,226)(H,187,238)(H,188,237)(H,189,242)(H,190,235)(H,191,227)(H,192,231)(H,193,243)(H,194,246)(H,195,245)(H,196,233)(H,197,239)(H,198,240)(H,199,248)(H,200,229)(H,201,241)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H4,167,168,170)/t82-,83-,84-,85-,86-,87+,88+,97-,99-,100?,101-,102-,103-,104-,105-,106-,107-,108-,109-,110+,111-,112-,113-,114-,115-,116-,117-,118-,128-,129-,130-,131-,132-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 90n/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))		BDBM50183650
PNG
(CHEMBL3823421)
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](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/C161H238N40O47/c1-18-22-44-100(181-140(228)103(53-55-123(211)212)182-148(236)114(69-125(215)216)193-155(243)118(77-203)196-145(233)107(61-89-37-26-23-27-38-89)189-154(242)117(76-202)178-122(210)75-173-137(225)113(68-124(213)214)177-121(209)74-172-136(224)97(163)66-94-73-169-78-174-94)138(226)186-110(63-91-41-30-25-31-42-91)153(241)201-132(88(17)205)160(248)199-130(84(13)21-4)158(246)194-105(59-80(7)8)143(231)192-116(71-127(219)220)150(238)187-108(64-92-48-50-95(206)51-49-92)144(232)184-104(58-79(5)6)142(230)176-85(14)134(222)175-86(15)135(223)180-101(47-36-57-170-161(167)168)139(227)191-115(70-126(217)218)149(237)188-109(62-90-39-28-24-29-40-90)152(240)198-129(83(12)20-3)157(245)195-112(67-120(165)208)147(235)190-111(65-93-72-171-98-45-33-32-43-96(93)98)146(234)185-106(60-81(9)10)151(239)197-128(82(11)19-2)156(244)183-102(52-54-119(164)207)141(229)200-131(87(16)204)159(247)179-99(133(166)221)46-34-35-56-162/h23-33,37-43,45,48-51,72-73,78-88,97,99-118,128-132,171,202-206H,18-22,34-36,44,46-47,52-71,74-77,162-163H2,1-17H3,(H2,164,207)(H2,165,208)(H2,166,221)(H,169,174)(H,172,224)(H,173,225)(H,175,222)(H,176,230)(H,177,209)(H,178,210)(H,179,247)(H,180,223)(H,181,228)(H,182,236)(H,183,244)(H,184,232)(H,185,234)(H,186,226)(H,187,238)(H,188,237)(H,189,242)(H,190,235)(H,191,227)(H,192,231)(H,193,243)(H,194,246)(H,195,245)(H,196,233)(H,197,239)(H,198,240)(H,199,248)(H,200,229)(H,201,241)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H4,167,168,170)/t82-,83-,84-,85-,86-,87+,88+,97-,99-,100?,101-,102-,103-,104-,105-,106-,107-,108-,109-,110+,111-,112-,113-,114-,115-,116-,117-,118-,128-,129-,130-,131-,132-/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 0.0700n/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