Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 1 receptor' and Ligand = 'BDBM50183901'   

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))	BDBM50183901 (CHEMBL3824227) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C135H203N37O43S/c1-17-65(10)106(110(140)191)169-127(208)83(43-64(8)9)157-121(202)86(46-73-55-145-77-34-27-26-33-75(73)77)160-123(204)88(49-97(138)177)167-132(213)107(66(11)18-2)170-128(209)85(45-72-31-24-21-25-32-72)158-125(206)92(53-104(187)188)163-115(196)78(35-28-39-144-135(141)142)153-112(193)69(14)149-111(192)68(13)150-118(199)81(41-62(4)5)156-122(203)87(48-96(137)176)162-126(207)93(54-105(189)190)164-119(200)82(42-63(6)7)166-133(214)108(67(12)19-3)171-134(215)109(70(15)175)172-129(210)89(50-98(139)178)161-117(198)80(38-40-216-16)155-116(197)79(36-37-101(181)182)154-124(205)91(52-103(185)186)165-131(212)95(60-174)168-120(201)84(44-71-29-22-20-23-30-71)159-130(211)94(59-173)152-100(180)58-147-114(195)90(51-102(183)184)151-99(179)57-146-113(194)76(136)47-74-56-143-61-148-74/h20-27,29-34,55-56,61-70,76,78-95,106-109,145,173-175H,17-19,28,35-54,57-60,136H2,1-16H3,(H2,137,176)(H2,138,177)(H2,139,178)(H2,140,191)(H,143,148)(H,146,194)(H,147,195)(H,149,192)(H,150,199)(H,151,179)(H,152,180)(H,153,193)(H,154,205)(H,155,197)(H,156,203)(H,157,202)(H,158,206)(H,159,211)(H,160,204)(H,161,198)(H,162,207)(H,163,196)(H,164,200)(H,165,212)(H,166,214)(H,167,213)(H,168,201)(H,169,208)(H,170,209)(H,171,215)(H,172,210)(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H4,141,142,144)/t65-,66-,67-,68-,69-,70+,76-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,106-,107-,108-,109-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at human GLP1R 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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