BDBM56191 MLS000063267::SMR000074865::[1-(2,5-dimethylbenzyl)-1H-benzimidazol-2-yl]methanol::[1-(2,5-dimethylbenzyl)benzimidazol-2-yl]methanol::[1-[(2,5-dimethylphenyl)methyl]-2-benzimidazolyl]methanol::[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol::cid_962431

SMILES Cc1ccc(c(c1)Cn2c3ccccc3nc2CO)C

InChI Key InChIKey=RZRPPZWEPMDGEI-UHFFFAOYSA-N

Data  1 IC50  2 Kd  1 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 56191   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM56191(MLS000063267 | [1-[(2,5-dimethylphenyl)methyl]benz...)
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:
6/8/2011
Entry Details
PCBioAssay
TargetVoltage-dependent T-type calcium channel subunit alpha-1H(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM56191(MLS000063267 | [1-[(2,5-dimethylphenyl)methyl]benz...)
Affinity DataEC50:  2.68E+3nMAssay Description:Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM56191(MLS000063267 | [1-[(2,5-dimethylphenyl)methyl]benz...)
Affinity DataKd:  2.20E+4nMAssay Description:Binding affinity to human TNF measured after 6 mins by surface plasmon resonanceMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTumor necrosis factor(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM56191(MLS000063267 | [1-[(2,5-dimethylphenyl)methyl]benz...)
Affinity DataKd:  2.20E+4nMAssay Description:Binding affinity to human TNF-alpha assessed as dissociation constant by SPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)