Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 1 receptor' and Ligand = 'BDBM50459993'   

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))	BDBM50459993 (CHEMBL4229251) 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](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)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/C172H265N39O51/c1-18-20-21-22-23-24-25-26-27-28-29-30-37-55-132(221)187-116(170(260)261)62-67-131(220)180-72-45-42-54-111(189-160(250)125(82-137(229)230)202-166(256)128(88-213)205-169(259)142(99(15)216)210-163(253)122(77-101-48-35-32-36-49-101)203-168(258)141(98(14)215)207-133(222)86-182-148(238)112(60-65-129(176)218)206-171(262)172(16,17)211-147(237)107(175)80-104-85-179-89-183-104)152(242)204-127(87-212)165(255)190-110(53-41-44-71-174)151(241)198-120(78-102-56-58-105(217)59-57-102)158(248)196-119(75-92(7)8)156(246)200-124(81-136(227)228)161(251)193-114(63-68-134(223)224)153(243)191-113(61-66-130(177)219)149(239)185-94(10)144(234)184-95(11)145(235)188-109(52-40-43-70-173)150(240)192-115(64-69-135(225)226)154(244)199-121(76-100-46-33-31-34-47-100)162(252)208-139(93(9)19-2)167(257)186-96(12)146(236)194-123(79-103-84-181-108-51-39-38-50-106(103)108)159(249)197-117(73-90(3)4)155(245)195-118(74-91(5)6)157(247)201-126(83-138(231)232)164(254)209-140(97(13)214)143(178)233/h31-36,38-39,46-51,56-59,84-85,89-99,107,109-128,139-142,181,212-217H,18-30,37,40-45,52-55,60-83,86-88,173-175H2,1-17H3,(H2,176,218)(H2,177,219)(H2,178,233)(H,179,183)(H,180,220)(H,182,238)(H,184,234)(H,185,239)(H,186,257)(H,187,221)(H,188,235)(H,189,250)(H,190,255)(H,191,243)(H,192,240)(H,193,251)(H,194,236)(H,195,245)(H,196,248)(H,197,249)(H,198,241)(H,199,244)(H,200,246)(H,201,247)(H,202,256)(H,203,258)(H,204,242)(H,205,259)(H,206,262)(H,207,222)(H,208,252)(H,209,254)(H,210,253)(H,211,237)(H,223,224)(H,225,226)(H,227,228)(H,229,230)(H,231,232)(H,260,261)/t93-,94-,95-,96-,97+,98+,99+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,139-,140-,141-,142-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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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