BDBM45374 1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-keto-pyrrolidine-3-carboxamide::1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxamide::1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxo-3-pyrrolidinecarboxamide::1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide::1-cyclopentyl-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-5-oxopyrrolidine-3-carboxamide::MLS000096370::SMR000032319::cid_3241136

SMILES O=C(NCCN1CCc2ccccc2C1)C1CN(C2CCCC2)C(=O)C1

InChI Key InChIKey=PONUMWZQSDCKKP-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45374   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45374BDBM45374(MLS000096370 | 1-cyclopentyl-N-[2-(3,4-dihydro-1H-...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay