Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 1 receptor' and Ligand = 'BDBM50459984'   

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 1 receptor (Homo sapiens (Human))	BDBM50459984 (CHEMBL4225795) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)C(O)=O |r| Show InChI InChI=1S/C171H262N42O53/c1-15-16-17-18-19-20-21-22-23-24-25-26-33-50-131(225)188-112(170(265)266)58-63-130(224)181-66-39-37-48-106(191-158(253)121(77-135(231)232)205-166(261)126(85-216)209-169(264)141(95(14)219)213-162(257)118(72-97-43-31-28-32-44-97)206-168(263)140(94(13)218)210-132(226)82-184-146(241)108(55-60-127(174)221)193-164(259)124(83-214)207-145(240)103(173)75-100-81-180-86-185-100)149(244)208-125(84-215)165(260)192-105(47-36-38-65-172)148(243)199-116(73-98-51-53-101(220)54-52-98)156(251)197-115(70-89(6)7)154(249)203-120(76-134(229)230)159(254)194-111(59-64-133(227)228)150(245)190-107(49-40-67-182-171(178)179)147(242)187-91(10)143(238)186-92(11)144(239)189-109(56-61-128(175)222)151(246)202-122(78-136(233)234)160(255)200-117(71-96-41-29-27-30-42-96)161(256)211-138(90(8)9)167(262)195-110(57-62-129(176)223)152(247)201-119(74-99-80-183-104-46-35-34-45-102(99)104)157(252)198-113(68-87(2)3)153(248)196-114(69-88(4)5)155(250)204-123(79-137(235)236)163(258)212-139(93(12)217)142(177)237/h27-32,34-35,41-46,51-54,80-81,86-95,103,105-126,138-141,183,214-220H,15-26,33,36-40,47-50,55-79,82-85,172-173H2,1-14H3,(H2,174,221)(H2,175,222)(H2,176,223)(H2,177,237)(H,180,185)(H,181,224)(H,184,241)(H,186,238)(H,187,242)(H,188,225)(H,189,239)(H,190,245)(H,191,253)(H,192,260)(H,193,259)(H,194,254)(H,195,262)(H,196,248)(H,197,251)(H,198,252)(H,199,243)(H,200,255)(H,201,247)(H,202,246)(H,203,249)(H,204,250)(H,205,261)(H,206,263)(H,207,240)(H,208,244)(H,209,264)(H,210,226)(H,211,256)(H,212,258)(H,213,257)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,265,266)(H4,178,179,182)/t91-,92-,93+,94+,95+,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124+,125-,126-,138-,139-,140-,141-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00300	n/a	n/a	n/a	n/a
Novo Nordisk Research Center Indianapolis Curated by ChEMBL					Assay Description Agonist activity at human GLP1 receptor expressed in HEK293 cells assessed as increase in cAMP level after 5 hrs by CRE driven luciferase reporter ge...				Bioorg Med Chem 26: 2873-2881 (2018) Article DOI: 10.1016/j.bmc.2017.10.047 BindingDB Entry DOI: 10.7270/Q2FN18TN
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