BDBM40340 3-(4-isobutyrylpiperazino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile::3-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile::3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile::MLS000071329::SMR000035358::cid_658245

SMILES CC(C)C(=O)N1CCN(CC1)c1nc(-c2ccccc2)c2CCCCc2c1C#N

InChI Key InChIKey=ZEBRMTVTXWFYBM-UHFFFAOYSA-N

Data  1 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 40340   

TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 40340BDBM40340(cid_658245 | 3-[4-(2-methylpropanoyl)piperazin-1-y...)
Affinity DataEC50:  3.84E+4nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 40340BDBM40340(cid_658245 | 3-[4-(2-methylpropanoyl)piperazin-1-y...)
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:
5/6/2011
Entry Details
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 40340BDBM40340(cid_658245 | 3-[4-(2-methylpropanoyl)piperazin-1-y...)
Affinity DataEC50: >3.80E+5nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay