Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 2 receptor' and Ligand = 'BDBM50183575'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Glucagon-like peptide 2 receptor (Homo sapiens (Human))	BDBM50183575 (CHEMBL3823786) Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(O)=O)NC(=O)CNC(=O)C(N)Cc1cnc[nH]1)C(=O)NC(CC(N)=O)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CC(O)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)CC)C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CCC(N)=O)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(N)=O Show InChI InChI=1S/C156H241N41O47/c1-18-22-44-94(177-135(224)97(49-51-118(207)208)178-143(232)108(65-120(211)212)189-150(239)112(73-199)192-140(229)102(58-86-39-28-24-29-40-86)184-149(238)111(72-198)174-117(206)71-169-132(221)107(64-119(209)210)173-116(205)70-168-131(220)91(158)61-89-69-165-74-170-89)133(222)186-106(63-115(161)204)148(237)197-127(84(17)201)155(244)195-125(80(13)21-4)153(242)190-99(55-76(7)8)138(227)188-110(67-122(215)216)145(234)182-101(57-85-37-26-23-27-38-85)139(228)180-98(54-75(5)6)137(226)172-81(14)129(218)171-82(15)130(219)176-95(47-36-53-166-156(163)164)134(223)187-109(66-121(213)214)144(233)183-103(59-87-41-30-25-31-42-87)147(236)194-124(79(12)20-3)152(241)191-105(62-114(160)203)142(231)185-104(60-88-68-167-92-45-33-32-43-90(88)92)141(230)181-100(56-77(9)10)146(235)193-123(78(11)19-2)151(240)179-96(48-50-113(159)202)136(225)196-126(83(16)200)154(243)175-93(128(162)217)46-34-35-52-157/h24-25,28-33,39-43,45,68-69,74-85,91,93-112,123-127,167,198-201H,18-23,26-27,34-38,44,46-67,70-73,157-158H2,1-17H3,(H2,159,202)(H2,160,203)(H2,161,204)(H2,162,217)(H,165,170)(H,168,220)(H,169,221)(H,171,218)(H,172,226)(H,173,205)(H,174,206)(H,175,243)(H,176,219)(H,177,224)(H,178,232)(H,179,240)(H,180,228)(H,181,230)(H,182,234)(H,183,233)(H,184,238)(H,185,231)(H,186,222)(H,187,223)(H,188,227)(H,189,239)(H,190,242)(H,191,241)(H,192,229)(H,193,235)(H,194,236)(H,195,244)(H,196,225)(H,197,237)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H4,163,164,166)/t78-,79-,80-,81-,82-,83+,84+,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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/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
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