BDBM10999 Benzenemethanamine::Bn-NH2::CHEMBL522::benzylamine::phenylmethanamine

SMILES NCc1ccccc1

InChI Key InChIKey=WGQKYBSKWIADBV-UHFFFAOYSA-N

Data  5 KI  4 IC50  3 Kd

PDB links: 17 PDB IDs match 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 12 hits for monomerid = 10999   

LigandPNGBDBM10999(Benzenemethanamine | Bn-NH2 | CHEMBL522 | benzylam...)
Affinity DataKi:  9.10E+3nMAssay Description:Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM10999(Benzenemethanamine | Bn-NH2 | CHEMBL522 | benzylam...)
Affinity DataKi:  2.35E+4nMAssay Description:Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM10999(Benzenemethanamine | Bn-NH2 | CHEMBL522 | benzylam...)
Affinity DataKi:  1.70E+5nMAssay Description:Inhibition of bovine PNMT by radiochemical assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM10999(Benzenemethanamine | Bn-NH2 | CHEMBL522 | benzylam...)
Affinity DataKi:  1.79E+5nMAssay Description:In vitro for inhibition of Phenylethanolamine N-Methyltransferase (PNMT)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Homo sapiens (Human))
Czech Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM10999(Benzenemethanamine | Bn-NH2 | CHEMBL522 | benzylam...)
Affinity DataKi:  3.00E+8nMAssay Description:The compound was tested for inhibition of the proteolytic enzyme trypsin.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 130(Mycobacterium tuberculosis)
University Of California San Francisco

LigandPNGBDBM10999(Benzenemethanamine | Bn-NH2 | CHEMBL522 | benzylam...)
Affinity DataKd:  1.00E+7nMAssay Description:Binding assay using CYP130, CYP130 (G234) or CYP142.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
University Of California San Francisco

LigandPNGBDBM10999(Benzenemethanamine | Bn-NH2 | CHEMBL522 | benzylam...)
Affinity DataKd:  100nMAssay Description:Binding assay using CYP130, CYP130 (G234) or CYP142.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysyl oxidase homolog 2(Homo sapiens (Human))
Pharmakea

Curated by ChEMBL
LigandPNGBDBM10999(Benzenemethanamine | Bn-NH2 | CHEMBL522 | benzylam...)
Affinity DataIC50:  6.47E+4nMAssay Description:Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Cornell University

LigandPNGBDBM10999(Benzenemethanamine | Bn-NH2 | CHEMBL522 | benzylam...)
Affinity DataIC50:  100nMAssay Description:IC50 values were determined using 12 point 2-fold dilutions (starting from 10 μM).More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Cornell University

LigandPNGBDBM10999(Benzenemethanamine | Bn-NH2 | CHEMBL522 | benzylam...)
Affinity DataIC50:  61nMAssay Description:IC50 values were determined using 12 point 2-fold dilutions (starting from 10 μM).More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetUrease subunit alpha(Helicobacter pylori ATCC43504)
Wuhan Textile University

LigandPNGBDBM10999(Benzenemethanamine | Bn-NH2 | CHEMBL522 | benzylam...)
Affinity DataIC50: >1.00E+5nMpH: 7.4 T: 2°CAssay Description:Briefly, 50 mL broth cultures (2.0 × 10^8 CFU/mL) were centrifuged (5000g, 4°C)to collect the bacteria, and after washing twice with phosph...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 130(Mycobacterium tuberculosis)
University Of California San Francisco

LigandPNGBDBM10999(Benzenemethanamine | Bn-NH2 | CHEMBL522 | benzylam...)
Affinity DataKd:  9.99E+6nMAssay Description:Binding assay using CYP130, CYP130 (G234) or CYP142.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed