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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 = 'BDBM50183579'   
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))		BDBM50183579
PNG
(CHEMBL3824278)
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)NC(Cc1cccs1)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/C154H233N41O47S/c1-18-22-41-92(175-133(222)95(46-48-116(205)206)176-141(230)106(63-118(209)210)187-148(237)110(71-197)190-137(226)99(55-83-35-25-23-26-36-83)181-147(236)109(70-196)172-115(204)69-167-130(219)105(62-117(207)208)171-114(203)68-166-129(218)89(156)58-86-67-163-72-168-86)131(220)184-104(61-113(159)202)146(235)195-125(82(17)199)153(242)193-123(78(13)21-4)151(240)188-97(53-74(7)8)136(225)186-108(65-120(213)214)143(232)183-102(59-87-39-34-51-243-87)139(228)178-96(52-73(5)6)135(224)170-79(14)127(216)169-80(15)128(217)174-93(44-33-50-164-154(161)162)132(221)185-107(64-119(211)212)142(231)180-100(56-84-37-27-24-28-38-84)145(234)192-122(77(12)20-3)150(239)189-103(60-112(158)201)140(229)182-101(57-85-66-165-90-42-30-29-40-88(85)90)138(227)179-98(54-75(9)10)144(233)191-121(76(11)19-2)149(238)177-94(45-47-111(157)200)134(223)194-124(81(16)198)152(241)173-91(126(160)215)43-31-32-49-155/h23-30,34-40,42,51,66-67,72-82,89,91-110,121-125,165,196-199H,18-22,31-33,41,43-50,52-65,68-71,155-156H2,1-17H3,(H2,157,200)(H2,158,201)(H2,159,202)(H2,160,215)(H,163,168)(H,166,218)(H,167,219)(H,169,216)(H,170,224)(H,171,203)(H,172,204)(H,173,241)(H,174,217)(H,175,222)(H,176,230)(H,177,238)(H,178,228)(H,179,227)(H,180,231)(H,181,236)(H,182,229)(H,183,232)(H,184,220)(H,185,221)(H,186,225)(H,187,237)(H,188,240)(H,189,239)(H,190,226)(H,191,233)(H,192,234)(H,193,242)(H,194,223)(H,195,235)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H4,161,162,164)/t76-,77-,78-,79-,80-,81+,82+,89-,91-,92?,93-,94-,95-,96-,97-,98-,99-,100-,101-,102?,103-,104-,105-,106-,107-,108-,109-,110-,121-,122-,123-,124-,125-/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 0.200n/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)


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