BDBM50393599 CHEMBL2158500

SMILES: COc1cc(ccc1OC(=O)c1cccs1)[C@H]1[C@@](NC(=O)c2ccc(NC(=O)CO)cc2)([C@@H](c2ccc(OC(=O)c3cccs3)c(OC)c2)[C@]1(NC(=O)c1ccc(NC(=O)CO)cc1)C(O)=O)C(O)=O

InChI Key: InChIKey=JWUZFGLIAHCNRZ-ZWYVMCSLSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50393599   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glucagon-like peptide 1 receptor (Rattus norvegicus)	BDBM50393599 (CHEMBL2158500) Show SMILES COc1cc(ccc1OC(=O)c1cccs1)[C@H]1[C@@](NC(=O)c2ccc(NC(=O)CO)cc2)([C@@H](c2ccc(OC(=O)c3cccs3)c(OC)c2)[C@]1(NC(=O)c1ccc(NC(=O)CO)cc1)C(O)=O)C(O)=O |r,wU:16.17,49.55,32.35,17.19,wD:49.70,17.73,(11.11,-34.3,;9.79,-35.09,;8.44,-34.35,;7.12,-35.14,;5.78,-34.39,;5.75,-32.85,;7.06,-32.06,;8.42,-32.8,;9.74,-32.01,;9.71,-30.47,;8.36,-29.73,;10.96,-29.57,;12.42,-30.04,;13.33,-28.8,;12.42,-27.55,;10.96,-28.03,;4.46,-35.18,;4.46,-36.72,;5.53,-37.83,;5.52,-39.37,;4.18,-40.13,;6.85,-40.15,;6.83,-41.69,;8.15,-42.47,;9.5,-41.71,;10.82,-42.49,;10.81,-44.03,;12.14,-44.81,;9.48,-44.79,;8.15,-44.01,;9.5,-40.16,;8.18,-39.39,;2.92,-36.72,;2.13,-38.02,;2.85,-39.36,;2.07,-40.69,;.52,-40.65,;-.28,-41.97,;.46,-43.32,;2,-43.36,;-.49,-44.54,;-2.03,-44.49,;-2.56,-45.94,;-1.34,-46.89,;-.06,-46.02,;-.22,-39.3,;-1.76,-39.26,;-2.49,-37.91,;.58,-37.99,;2.92,-35.18,;2.15,-33.85,;2.92,-32.51,;4.46,-32.51,;2.15,-31.18,;2.92,-29.85,;2.15,-28.52,;.61,-28.52,;-.16,-27.19,;.61,-25.85,;-.17,-24.52,;2.14,-25.85,;2.91,-27.19,;-.16,-29.86,;.62,-31.19,;1.38,-35.18,;.61,-33.85,;.61,-36.52,;6,-36.72,;6.77,-38.05,;6.52,-35.66,)| Show InChI InChI=1S/C48H40N4O16S2/c1-65-33-21-27(11-17-31(33)67-43(59)35-5-3-19-69-35)39-47(45(61)62,51-41(57)25-7-13-29(14-8-25)49-37(55)23-53)40(28-12-18-32(34(22-28)66-2)68-44(60)36-6-4-20-70-36)48(39,46(63)64)52-42(58)26-9-15-30(16-10-26)50-38(56)24-54/h3-22,39-40,53-54H,23-24H2,1-2H3,(H,49,55)(H,50,56)(H,51,57)(H,52,58)(H,61,62)(H,63,64)/t39-,40+,47+,48-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The National Center for Drug Screening Curated by ChEMBL					Assay Description Inhibition of [125I]GLP1 (7-36) amide binding to rat GLP1R expressed in HEK293 cells				J Med Chem 55: 250-67 (2012) Article DOI: 10.1021/jm201150j BindingDB Entry DOI: 10.7270/Q2M046JC
					More data for this Ligand-Target Pair