BDBM50216197 CHEMBL233610::N-(2-methoxyphenethyl)-4-(((S)-2-(methoxymethyl)pyrrolidin-1-yl)methyl)-N-(pyrrolidin-3-yl)benzamide

SMILES: COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN2CCCC(C2)C(N)=O)cc1

InChI Key: InChIKey=ISWGUYYQOFWZJA-UHFFFAOYSA-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 = 50216197   

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
Membrane-bound transcription factor site-1 protease (Homo sapiens (Human))	BDBM50216197 (CHEMBL233610 | N-(2-methoxyphenethyl)-4-(((S)-2-(m...) Show SMILES COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN2CCCC(C2)C(N)=O)cc1 |w:11.11,27.31| Show InChI InChI=1S/C27H36N4O3/c1-34-25-7-3-2-5-21(25)13-16-31(24-12-14-29-17-24)27(33)22-10-8-20(9-11-22)18-30-15-4-6-23(19-30)26(28)32/h2-3,5,7-11,23-24,29H,4,6,12-19H2,1H3,(H2,28,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-Groton Laboratories Curated by ChEMBL					Assay Description Inhibition of human S1P expressed in CHOK1 cells				Bioorg Med Chem Lett 17: 4411-4 (2007) Article DOI: 10.1016/j.bmcl.2007.06.031 BindingDB Entry DOI: 10.7270/Q26M36JG
					More data for this Ligand-Target Pair