BDBM50075132 2-(4-Methyl-cyclohexyl)-1-[(S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-ethanone::CHEMBL139862

SMILES: CC1CCC(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)CC1

InChI Key: InChIKey=ZBNCRTZPOIUJAQ-NGICGMGXSA-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 = 50075132   

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))	BDBM50075132 (2-(4-Methyl-cyclohexyl)-1-[(S)-3-(pyrrolidine-1-ca...) Show SMILES CC1CCC(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)CC1 |wU:17.19,(-2.79,-4.97,;-2.78,-3.43,;-1.44,-2.66,;-1.44,-1.12,;-2.77,-.35,;-2.77,1.19,;-1.44,1.96,;-.11,1.19,;-1.44,3.5,;-2.77,4.26,;-2.77,5.8,;-4.1,6.57,;-4.12,8.08,;-2.79,8.87,;-1.45,8.1,;-1.44,6.58,;-.11,5.8,;-.11,4.26,;1.22,3.49,;1.22,1.95,;2.55,4.26,;3.95,3.63,;4.99,4.78,;4.21,6.11,;2.71,5.8,;-4.11,-1.12,;-4.11,-2.64,)| Show InChI InChI=1S/C23H32N2O2/c1-17-8-10-18(11-9-17)14-22(26)25-16-20-7-3-2-6-19(20)15-21(25)23(27)24-12-4-5-13-24/h2-3,6-7,17-18,21H,4-5,8-16H2,1H3/t17?,18?,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	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