Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 1 receptor' and Ligand = 'BDBM50277061'   

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))	BDBM50277061 (CHEMBL4159256) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C153H226N44O47S2/c1-72(2)52-97(134(227)177-96(47-51-246-11)133(226)185-104(60-115(159)209)144(237)196-121(76(8)201)124(160)217)180-138(231)103(58-83-64-168-89-29-19-18-28-87(83)89)184-132(225)95(43-46-114(158)208)178-149(242)120(74(5)6)195-142(235)101(54-79-24-14-12-15-25-79)183-139(232)105(61-117(211)212)186-131(224)94(42-45-113(157)207)172-125(218)75(7)171-128(221)91(31-22-49-166-152(161)162)173-129(222)92(32-23-50-167-153(163)164)175-148(241)111(70-245)193-141(234)107(63-119(215)216)187-135(228)98(53-73(3)4)179-136(229)99(56-81-33-37-85(204)38-34-81)181-130(223)90(30-20-21-48-154)174-146(239)109(68-199)191-137(230)100(57-82-35-39-86(205)40-36-82)182-140(233)106(62-118(213)214)188-147(240)110(69-200)192-151(244)123(78(10)203)197-143(236)102(55-80-26-16-13-17-27-80)189-150(243)122(77(9)202)194-116(210)66-169-127(220)93(41-44-112(156)206)176-145(238)108(67-198)190-126(219)88(155)59-84-65-165-71-170-84/h12-19,24-29,33-40,64-65,71-78,88,90-111,120-123,168,198-205,245H,20-23,30-32,41-63,66-70,154-155H2,1-11H3,(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H2,160,217)(H,165,170)(H,169,220)(H,171,221)(H,172,218)(H,173,222)(H,174,239)(H,175,241)(H,176,238)(H,177,227)(H,178,242)(H,179,229)(H,180,231)(H,181,223)(H,182,233)(H,183,232)(H,184,225)(H,185,226)(H,186,224)(H,187,228)(H,188,240)(H,189,243)(H,190,219)(H,191,230)(H,192,244)(H,193,234)(H,194,210)(H,195,235)(H,196,237)(H,197,236)(H,211,212)(H,213,214)(H,215,216)(H4,161,162,166)(H4,163,164,167)/t75-,76+,77+,78+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.940	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Agonist activity at full length human GLP1R expressed in HEK293 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay				Eur J Med Chem 138: 1158-1169 (2017) Article DOI: 10.1016/j.ejmech.2017.07.046 BindingDB Entry DOI: 10.7270/Q2QC061V
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