BDBM50075128 CHEMBL138674::{6-Oxo-6-[(S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-hexyl}-carbamic acid benzyl ester

SMILES: O=C(NCCCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1)OCc1ccccc1

InChI Key: InChIKey=XPNPUOWNZFBGAY-VWLOTQADSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50075128   

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 (Homo sapiens (Human))	BDBM50075128 (CHEMBL138674 | {6-Oxo-6-[(S)-3-(pyrrolidine-1-carb...) Show SMILES O=C(NCCCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1)OCc1ccccc1 Show InChI InChI=1S/C28H35N3O4/c32-26(15-5-2-8-16-29-28(34)35-21-22-11-3-1-4-12-22)31-20-24-14-7-6-13-23(24)19-25(31)27(33)30-17-9-10-18-30/h1,3-4,6-7,11-14,25H,2,5,8-10,15-21H2,(H,29,34)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibition of Prolyl endopeptidase				Bioorg Med Chem Lett 9: 437-42 (1999) BindingDB Entry DOI: 10.7270/Q2348JJR
					More data for this Ligand-Target Pair