Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 1 receptor' and Ligand = 'BDBM50183897'   

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))	BDBM50183897 (CHEMBL3823117) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[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@@H](C)CC)[C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C156H241N43O49S/c1-20-75(11)121(127(163)220)194-135(228)90(41-32-33-48-157)179-154(247)125(81(17)202)198-136(229)92(43-45-110(159)204)180-151(244)122(76(12)21-2)195-146(239)97(53-74(9)10)182-140(233)100(56-85-65-168-89-40-31-30-39-87(85)89)185-142(235)102(59-112(161)206)192-152(245)123(77(13)22-3)196-147(240)99(55-84-37-28-25-29-38-84)183-144(237)106(63-119(216)217)188-132(225)91(42-34-49-167-156(164)165)176-129(222)80(16)172-128(221)79(15)173-137(230)95(51-72(5)6)181-141(234)101(58-111(160)205)187-145(238)107(64-120(218)219)189-138(231)96(52-73(7)8)191-153(246)124(78(14)23-4)197-155(248)126(82(18)203)199-148(241)103(60-113(162)207)186-134(227)94(47-50-249-19)178-133(226)93(44-46-116(210)211)177-143(236)105(62-118(214)215)190-150(243)109(70-201)193-139(232)98(54-83-35-26-24-27-36-83)184-149(242)108(69-200)175-115(209)68-170-131(224)104(61-117(212)213)174-114(208)67-169-130(223)88(158)57-86-66-166-71-171-86/h24-31,35-40,65-66,71-82,88,90-109,121-126,168,200-203H,20-23,32-34,41-64,67-70,157-158H2,1-19H3,(H2,159,204)(H2,160,205)(H2,161,206)(H2,162,207)(H2,163,220)(H,166,171)(H,169,223)(H,170,224)(H,172,221)(H,173,230)(H,174,208)(H,175,209)(H,176,222)(H,177,236)(H,178,226)(H,179,247)(H,180,244)(H,181,234)(H,182,233)(H,183,237)(H,184,242)(H,185,235)(H,186,227)(H,187,238)(H,188,225)(H,189,231)(H,190,243)(H,191,246)(H,192,245)(H,193,232)(H,194,228)(H,195,239)(H,196,240)(H,197,248)(H,198,229)(H,199,241)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H4,164,165,167)/t75-,76-,77-,78-,79-,80-,81+,82+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,121-,122-,123-,124-,125-,126-/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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