Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 1 receptor' and Ligand = 'BDBM50130491'   

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))	BDBM50130491 (CHEMBL3633852) Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCc2ccccc2)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc3ccc(cc3)-c3ccccc3)NC(=O)CNC2=O)C(=O)N[C@@H](CO)C(O)=O)cc1 |r| Show InChI InChI=1S/C113H146N24O32S2/c1-9-69-45-74(169-8)38-39-75(69)72-36-32-67(33-37-72)44-80(128-104(159)81(47-93(149)150)129-105(160)82(55-138)130-108(163)94(63(5)140)135-112(168)113(7,48-68-23-15-11-16-24-68)136-109(164)95(64(6)141)134-91(146)54-119-99(154)78(40-41-92(147)148)127-107(162)86-29-20-42-137(86)110(165)76(114)46-73-49-115-59-121-73)103(158)126-77(28-19-25-65-21-13-10-14-22-65)101(156)133-84-57-170-171-58-85(106(161)131-83(56-139)111(166)167)132-98(153)61(3)122-89(144)52-117-87(142)50-116-88(143)51-118-96(151)60(2)123-97(152)62(4)124-102(157)79(125-90(145)53-120-100(84)155)43-66-30-34-71(35-31-66)70-26-17-12-18-27-70/h10-18,21-24,26-27,30-39,45,49,59-64,76-86,94-95,138-141H,9,19-20,25,28-29,40-44,46-48,50-58,114H2,1-8H3,(H,115,121)(H,116,143)(H,117,142)(H,118,151)(H,119,154)(H,120,155)(H,122,144)(H,123,152)(H,124,157)(H,125,145)(H,126,158)(H,127,162)(H,128,159)(H,129,160)(H,130,163)(H,131,161)(H,132,153)(H,133,156)(H,134,146)(H,135,168)(H,136,164)(H,147,148)(H,149,150)(H,166,167)/t60-,61-,62-,63+,64+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,94-,95-,113-/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	47	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Agonist activity at human GLP-1R expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 30 mins				Eur J Med Chem 103: 175-84 (2015) Article DOI: 10.1016/j.ejmech.2015.08.046 BindingDB Entry DOI: 10.7270/Q2JH3P05
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