Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 2 receptor' and Ligand = 'BDBM50183580'   

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))	BDBM50183580 (CHEMBL3824272) 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(Cc1ccc(N)cc1)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/C156H236N42O47/c1-18-22-39-94(178-135(225)97(48-50-118(208)209)179-143(233)108(64-120(212)213)190-150(240)112(72-200)193-140(230)101(56-84-34-25-23-26-35-84)185-149(239)111(71-199)175-117(207)70-170-132(222)107(63-119(210)211)174-116(206)69-169-131(221)91(159)60-89-68-166-73-171-89)133(223)187-106(62-115(162)205)148(238)198-127(83(17)202)155(245)196-125(79(13)21-4)153(243)191-99(54-75(7)8)138(228)189-110(66-122(216)217)145(235)183-102(58-86-43-45-88(158)46-44-86)139(229)181-98(53-74(5)6)137(227)173-80(14)129(219)172-81(15)130(220)177-95(42-33-52-167-156(164)165)134(224)188-109(65-121(214)215)144(234)184-103(57-85-36-27-24-28-37-85)147(237)195-124(78(12)20-3)152(242)192-105(61-114(161)204)142(232)186-104(59-87-67-168-92-40-30-29-38-90(87)92)141(231)182-100(55-76(9)10)146(236)194-123(77(11)19-2)151(241)180-96(47-49-113(160)203)136(226)197-126(82(16)201)154(244)176-93(128(163)218)41-31-32-51-157/h23-30,34-38,40,43-46,67-68,73-83,91,93-112,123-127,168,199-202H,18-22,31-33,39,41-42,47-66,69-72,157-159H2,1-17H3,(H2,160,203)(H2,161,204)(H2,162,205)(H2,163,218)(H,166,171)(H,169,221)(H,170,222)(H,172,219)(H,173,227)(H,174,206)(H,175,207)(H,176,244)(H,177,220)(H,178,225)(H,179,233)(H,180,241)(H,181,229)(H,182,231)(H,183,235)(H,184,234)(H,185,239)(H,186,232)(H,187,223)(H,188,224)(H,189,228)(H,190,240)(H,191,243)(H,192,242)(H,193,230)(H,194,236)(H,195,237)(H,196,245)(H,197,226)(H,198,238)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H4,164,165,167)/t77-,78-,79-,80-,81-,82+,83+,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 Similars	Article PubMed	n/a	n/a	n/a	n/a	0.130	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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