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BDBM50070786 4-Amino-1-(4-benzyloxy-benzyl)-pyridinium::CHEMBL47543

SMILES: [NH2+]=c1ccn(Cc2ccc(OCc3ccccc3)cc2)cc1

InChI Key: InChIKey=ORDSGQFOXFENIJ-UHFFFAOYSA-O

Data: 2 KI

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 2 hits for monomerid = 50070786   
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
Prothrombin


(Homo sapiens (Human))
BDBM50070786
PNG
(4-Amino-1-(4-benzyloxy-benzyl)-pyridinium | CHEMBL...)
Show SMILES [NH2+]=c1ccn(Cc2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C19H18N2O/c20-18-10-12-21(13-11-18)14-16-6-8-19(9-7-16)22-15-17-4-2-1-3-5-17/h1-13,20H,14-15H2/p+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against human thrombin


Bioorg Med Chem Lett 8: 1697-702 (1999)


BindingDB Entry DOI: 10.7270/Q26T0KRN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50070786
PNG
(4-Amino-1-(4-benzyloxy-benzyl)-pyridinium | CHEMBL...)
Show SMILES [NH2+]=c1ccn(Cc2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C19H18N2O/c20-18-10-12-21(13-11-18)14-16-6-8-19(9-7-16)22-15-17-4-2-1-3-5-17/h1-13,20H,14-15H2/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
7.70E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against trypsin


Bioorg Med Chem Lett 8: 1697-702 (1999)


BindingDB Entry DOI: 10.7270/Q26T0KRN
More data for this
Ligand-Target Pair