Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 1 receptor' and Ligand = 'BDBM50459986'   

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))	BDBM50459986 (CHEMBL4226634) 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(C)(C)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)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C178H275N47O53/c1-16-17-18-19-20-21-22-23-24-25-26-27-34-53-136(236)201-117(174(276)277)61-66-135(235)190-69-40-38-50-111(204-164(266)127(82-142(245)246)217-170(272)130(90-227)220-173(275)146(99(13)229)224-168(270)123(76-101-45-32-29-33-46-101)218-172(274)145(98(12)228)222-138(238)88-195-151(253)113(58-63-131(181)231)221-175(278)178(14,15)225-149(251)107(180)79-104-85-189-91-197-104)155(257)219-129(89-226)169(271)205-110(49-37-39-68-179)154(256)211-121(77-102-54-56-105(230)57-55-102)162(264)209-120(74-94(6)7)161(263)216-126(81-141(243)244)165(267)206-116(62-67-139(239)240)156(258)203-112(52-42-71-192-177(187)188)153(255)199-96(10)147(249)198-97(11)148(250)202-114(59-64-132(182)232)157(259)215-128(83-143(247)248)166(268)212-122(75-100-43-30-28-31-44-100)167(269)223-144(95(8)9)171(273)207-115(60-65-133(183)233)158(260)213-124(78-103-84-193-108-48-36-35-47-106(103)108)163(265)210-118(72-92(2)3)159(261)208-119(73-93(4)5)160(262)214-125(80-140(241)242)152(254)196-87-137(237)200-109(51-41-70-191-176(185)186)150(252)194-86-134(184)234/h28-33,35-36,43-48,54-57,84-85,91-99,107,109-130,144-146,193,226-230H,16-27,34,37-42,49-53,58-83,86-90,179-180H2,1-15H3,(H2,181,231)(H2,182,232)(H2,183,233)(H2,184,234)(H,189,197)(H,190,235)(H,194,252)(H,195,253)(H,196,254)(H,198,249)(H,199,255)(H,200,237)(H,201,236)(H,202,250)(H,203,258)(H,204,266)(H,205,271)(H,206,267)(H,207,273)(H,208,261)(H,209,264)(H,210,265)(H,211,256)(H,212,268)(H,213,260)(H,214,262)(H,215,259)(H,216,263)(H,217,272)(H,218,274)(H,219,257)(H,220,275)(H,221,278)(H,222,238)(H,223,269)(H,224,270)(H,225,251)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,276,277)(H4,185,186,191)(H4,187,188,192)/t96-,97-,98+,99+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,144-,145-,146-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00400	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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