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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 2 receptor' and Ligand = 'BDBM50183652'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50183652
PNG
(CHEMBL3823291)
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](Cc1cccs1)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](Cc1ccccc1)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/C159H236N40O46S/c1-18-22-46-98(179-138(225)101(51-53-121(208)209)180-146(233)112(68-123(212)213)191-153(240)116(76-201)194-143(230)106(61-89-40-28-24-29-41-89)186-152(239)115(75-200)176-120(207)74-171-135(222)111(67-122(210)211)175-119(206)73-170-134(221)95(161)64-92-72-167-77-172-92)136(223)188-109(65-93-44-37-56-246-93)151(238)199-130(87(17)203)158(245)197-128(83(13)21-4)156(243)192-103(58-79(7)8)141(228)190-114(70-125(216)217)148(235)184-105(60-88-38-26-23-27-39-88)142(229)182-102(57-78(5)6)140(227)174-84(14)132(219)173-85(15)133(220)178-99(49-36-55-168-159(165)166)137(224)189-113(69-124(214)215)147(234)185-107(62-90-42-30-25-31-43-90)150(237)196-127(82(12)20-3)155(242)193-110(66-118(163)205)145(232)187-108(63-91-71-169-96-47-33-32-45-94(91)96)144(231)183-104(59-80(9)10)149(236)195-126(81(11)19-2)154(241)181-100(50-52-117(162)204)139(226)198-129(86(16)202)157(244)177-97(131(164)218)48-34-35-54-160/h23-33,37-45,47,56,71-72,77-87,95,97-116,126-130,169,200-203H,18-22,34-36,46,48-55,57-70,73-76,160-161H2,1-17H3,(H2,162,204)(H2,163,205)(H2,164,218)(H,167,172)(H,170,221)(H,171,222)(H,173,219)(H,174,227)(H,175,206)(H,176,207)(H,177,244)(H,178,220)(H,179,225)(H,180,233)(H,181,241)(H,182,229)(H,183,231)(H,184,235)(H,185,234)(H,186,239)(H,187,232)(H,188,223)(H,189,224)(H,190,228)(H,191,240)(H,192,243)(H,193,242)(H,194,230)(H,195,236)(H,196,237)(H,197,245)(H,198,226)(H,199,238)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H4,165,166,168)/t81-,82-,83-,84-,85-,86+,87+,95-,97-,98?,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109+,110-,111-,112-,113-,114-,115-,116-,126-,127-,128-,129-,130-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 0.0800n/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)


Article DOI: 10.1021/acs.jmedchem.5b01909
BindingDB Entry DOI: 10.7270/Q23R0VT7
More data for this
Ligand-Target Pair