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BDBM10999 Benzenemethanamine::CHEMBL522::benzylamine::phenylmethanamine

SMILES: NCc1ccccc1

InChI Key: InChIKey=WGQKYBSKWIADBV-UHFFFAOYSA-N

Data: 5 KI  2 IC50  3 Kd

PDB links: 14 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 10999   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Urease


(Helicobacter pylori ATCC43504)
BDBM10999
PNG
(Benzenemethanamine | CHEMBL522 | benzylamine | phe...)
Show SMILES NCc1ccccc1
Show InChI InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
PDB

KEGG

UniProtKB/TrEMBL

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.44



Wuhan Textile University



Assay 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...


J Enzyme Inhib Med Chem 27: 528-32 (2012)


Article DOI: 10.3109/14756366.2011.599065
BindingDB Entry DOI: 10.7270/Q2445KC3
More data for this
Ligand-Target Pair
Cytochrome P450 130 (G243A)


(Mycobacterium tuberculosis)
BDBM10999
PNG
(Benzenemethanamine | CHEMBL522 | benzylamine | phe...)
Show SMILES NCc1ccccc1
Show InChI InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
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n/an/an/a 1.00E+7n/an/an/an/an/a



University of California, San Francisco



Assay Description
Binding assay using CYP130, CYP130 (G234) or CYP142.


J Biol Chem 284: 25211-9 (2009)


Article DOI: 10.1074/jbc.M109.017632
BindingDB Entry DOI: 10.7270/Q2RR1WVC
More data for this
Ligand-Target Pair
Cytochrome P450 142 (CYP142)


(Mycobacterium tuberculosis)
BDBM10999
PNG
(Benzenemethanamine | CHEMBL522 | benzylamine | phe...)
Show SMILES NCc1ccccc1
Show InChI InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
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n/an/an/a 100n/an/an/an/an/a



University of California, San Francisco



Assay Description
Binding assay using CYP130, CYP130 (G234) or CYP142.


J Biol Chem 284: 25211-9 (2009)


Article DOI: 10.1074/jbc.M109.017632
BindingDB Entry DOI: 10.7270/Q2RR1WVC
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens)
BDBM10999
PNG
(Benzenemethanamine | CHEMBL522 | benzylamine | phe...)
Show SMILES NCc1ccccc1
Show InChI InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
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n/an/a 6.47E+4n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM10999
PNG
(Benzenemethanamine | CHEMBL522 | benzylamine | phe...)
Show SMILES NCc1ccccc1
Show InChI InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
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1.70E+5n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of bovine PNMT by radiochemical assay


Bioorg Med Chem 16: 542-59 (2008)


Article DOI: 10.1016/j.bmc.2007.08.066
BindingDB Entry DOI: 10.7270/Q24B312R
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM10999
PNG
(Benzenemethanamine | CHEMBL522 | benzylamine | phe...)
Show SMILES NCc1ccccc1
Show InChI InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
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9.10E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM10999
PNG
(Benzenemethanamine | CHEMBL522 | benzylamine | phe...)
Show SMILES NCc1ccccc1
Show InChI InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
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2.35E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM10999
PNG
(Benzenemethanamine | CHEMBL522 | benzylamine | phe...)
Show SMILES NCc1ccccc1
Show InChI InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
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3.00E+8n/an/an/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of the proteolytic enzyme trypsin.


J Med Chem 42: 5169-80 (2000)


Article DOI: 10.1021/jm9910728
BindingDB Entry DOI: 10.7270/Q2930VD5
More data for this
Ligand-Target Pair
Cytochrome P450 130


(Mycobacterium tuberculosis)
BDBM10999
PNG
(Benzenemethanamine | CHEMBL522 | benzylamine | phe...)
Show SMILES NCc1ccccc1
Show InChI InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
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n/an/an/a 9.99E+6n/an/an/an/an/a



University of California, San Francisco



Assay Description
Binding assay using CYP130, CYP130 (G234) or CYP142.


J Biol Chem 284: 25211-9 (2009)


Article DOI: 10.1074/jbc.M109.017632
BindingDB Entry DOI: 10.7270/Q2RR1WVC
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM10999
PNG
(Benzenemethanamine | CHEMBL522 | benzylamine | phe...)
Show SMILES NCc1ccccc1
Show InChI InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
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1.79E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro for inhibition of Phenylethanolamine N-Methyltransferase (PNMT)


J Med Chem 39: 3539-46 (1996)


Article DOI: 10.1021/jm9508292
BindingDB Entry DOI: 10.7270/Q2JM28RQ
More data for this
Ligand-Target Pair