BDBM50506029 CHEMBL4441946

SMILES: COc1ccc(NC(=O)c2ccc(Cl)cc2-c2ccc(cc2C(O)=O)C(=O)Nc2ccc3CCCc3c2)cc1F

InChI Key: InChIKey=REUOLBHWZCESBK-UHFFFAOYSA-N

Data: 1 EC50

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 = 50506029   

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
Apelin receptor (Homo sapiens (Human))	BDBM50506029 (CHEMBL4441946) Show SMILES COc1ccc(NC(=O)c2ccc(Cl)cc2-c2ccc(cc2C(O)=O)C(=O)Nc2ccc3CCCc3c2)cc1F Show InChI InChI=1S/C31H24ClFN2O5/c1-40-28-12-9-22(16-27(28)33)35-30(37)24-11-7-20(32)15-25(24)23-10-6-19(14-26(23)31(38)39)29(36)34-21-8-5-17-3-2-4-18(17)13-21/h5-16H,2-4H2,1H3,(H,34,36)(H,35,37)(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513
					More data for this Ligand-Target Pair