BDBM50038881 CHEMBL294803::Y-29794::[2-(8-Dimethylamino-octylsulfanyl)-6-isopropyl-pyridin-3-yl]-thiophen-2-yl-methanone

SMILES: CC(C)c1ccc(C(=O)c2cccs2)c(SCCCCCCCCN(C)C)n1

InChI Key: InChIKey=HAGHKJDWBDSFKC-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50038881   

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
Prolyl endopeptidase (Rattus norvegicus)	BDBM50038881 (CHEMBL294803 | Y-29794 | [2-(8-Dimethylamino-octyl...) Show SMILES CC(C)c1ccc(C(=O)c2cccs2)c(SCCCCCCCCN(C)C)n1 Show InChI InChI=1S/C23H34N2OS2/c1-18(2)20-14-13-19(22(26)21-12-11-17-27-21)23(24-20)28-16-10-8-6-5-7-9-15-25(3)4/h11-14,17-18H,5-10,15-16H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of POP in rat brain homogenate				J Med Chem 53: 3423-38 (2010) Article DOI: 10.1021/jm901104g BindingDB Entry DOI: 10.7270/Q261119N
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038881 (CHEMBL294803 | Y-29794 | [2-(8-Dimethylamino-octyl...) Show SMILES CC(C)c1ccc(C(=O)c2cccs2)c(SCCCCCCCCN(C)C)n1 Show InChI InChI=1S/C23H34N2OS2/c1-18(2)20-14-13-19(22(26)21-12-11-17-27-21)23(24-20)28-16-10-8-6-5-7-9-15-25(3)4/h11-14,17-18H,5-10,15-16H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair