BindingDB PrimarySearch

BDBM10999 Benzenemethanamine::CHEMBL522::benzylamine::phenylmethanamine

SMILES: NCc1ccccc1

InChI Key: InChIKey=WGQKYBSKWIADBV-UHFFFAOYSA-N

Data: 5 KI 2 IC50 3 Kd

PDB links: 19 PDB IDs match this monomer. 1385 PDB IDs contain this monomer as substructures. 1385 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 10999
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM10999 (Benzenemethanamine \| CHEMBL522 \| benzylamine \| phe...) Show SMILES NCc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26Q20F9
University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM10999 (Benzenemethanamine \| CHEMBL522 \| benzylamine \| phe...) Show SMILES NCc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26Q20F9
University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM10999 (Benzenemethanamine \| CHEMBL522 \| benzylamine \| phe...) Show SMILES NCc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
The University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM10999 (Benzenemethanamine \| CHEMBL522 \| benzylamine \| phe...) Show SMILES NCc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.79E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM10999 (Benzenemethanamine \| CHEMBL522 \| benzylamine \| phe...) Show SMILES NCc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	3.00E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2930VD5
Czech Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM10999 (Benzenemethanamine \| CHEMBL522 \| benzylamine \| phe...) Show SMILES NCc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	6.47E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2542QV6
PharmAkea Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 142 (CYP142) (Mycobacterium tuberculosis)	BDBM10999 (Benzenemethanamine \| CHEMBL522 \| benzylamine \| phe...) Show SMILES NCc1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/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
University of California, San Francisco					More data for this Ligand-Target Pair
Cytochrome P450 130 (G243A) (Mycobacterium tuberculosis)	BDBM10999 (Benzenemethanamine \| CHEMBL522 \| benzylamine \| phe...) Show SMILES NCc1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+7	n/a	n/a	n/a	n/a	n/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
University of California, San Francisco					More data for this Ligand-Target Pair
Cytochrome P450 130 (Mycobacterium tuberculosis)	BDBM10999 (Benzenemethanamine \| CHEMBL522 \| benzylamine \| phe...) Show SMILES NCc1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	9.99E+6	n/a	n/a	n/a	n/a	n/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
University of California, San Francisco					More data for this Ligand-Target Pair
Urease (Helicobacter pylori ATCC43504)	BDBM10999 (Benzenemethanamine \| CHEMBL522 \| benzylamine \| phe...) Show SMILES NCc1ccccc1 Show InChI	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.4	4
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
Wuhan Textile University					More data for this Ligand-Target Pair