BindingDB logo
myBDB logout

BDBM50084069 Benzenesulfonic acid 3-(1-carbamimidoyl-piperidin-4-ylmethoxy)-5-methyl-phenyl ester::CHEMBL424394

SMILES: Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2)c1

InChI Key: InChIKey=MVUIVBYIEQEQFL-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50084069   
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))		BDBM50084069
PNG
(Benzenesulfonic acid 3-(1-carbamimidoyl-piperidin-...)
Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C20H25N3O4S/c1-15-11-17(26-14-16-7-9-23(10-8-16)20(21)22)13-18(12-15)27-28(24,25)19-5-3-2-4-6-19/h2-6,11-13,16H,7-10,14H2,1H3,(H3,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 32n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceutical, Inc.

Curated by ChEMBL


Assay Description
Anti- Thrombin activity using standard chromogenic assay

Bioorg Med Chem Lett 10: 79-82 (2000)


BindingDB Entry DOI: 10.7270/Q2GH9H6F
More data for this
Ligand-Target Pair