Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 2 receptor' and Ligand = 'BDBM50183644'   

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))	BDBM50183644 (CHEMBL3823936) 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(Cc1cccc2ccccc12)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/C160H237N41O47/c1-18-22-46-98(181-139(228)101(51-53-122(211)212)182-147(236)112(67-124(215)216)193-154(243)116(75-203)196-143(232)105(59-87-37-25-23-26-38-87)187-153(242)115(74-202)178-121(210)73-173-136(225)111(66-123(213)214)177-120(209)72-172-135(224)95(162)63-92-71-169-76-174-92)137(226)190-110(65-119(165)208)152(241)201-131(86(17)205)159(248)199-129(82(13)21-4)157(246)194-103(57-78(7)8)142(231)192-114(69-126(219)220)149(238)188-107(61-90-43-35-42-89-41-29-30-44-93(89)90)144(233)184-102(56-77(5)6)141(230)176-83(14)133(222)175-84(15)134(223)180-99(49-36-55-170-160(167)168)138(227)191-113(68-125(217)218)148(237)186-106(60-88-39-27-24-28-40-88)151(240)198-128(81(12)20-3)156(245)195-109(64-118(164)207)146(235)189-108(62-91-70-171-96-47-32-31-45-94(91)96)145(234)185-104(58-79(9)10)150(239)197-127(80(11)19-2)155(244)183-100(50-52-117(163)206)140(229)200-130(85(16)204)158(247)179-97(132(166)221)48-33-34-54-161/h23-32,35,37-45,47,70-71,76-86,95,97-116,127-131,171,202-205H,18-22,33-34,36,46,48-69,72-75,161-162H2,1-17H3,(H2,163,206)(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,184,233)(H,185,234)(H,186,237)(H,187,242)(H,188,238)(H,189,235)(H,190,226)(H,191,227)(H,192,231)(H,193,243)(H,194,246)(H,195,245)(H,196,232)(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)/t80-,81-,82-,83-,84-,85+,86+,95-,97-,98?,99-,100-,101-,102-,103-,104-,105?,106-,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,127-,128-,129-,130-,131-/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	0.190	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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