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BDBM50113849 3-[3-Oxo-3-piperidin-1-yl-2-(toluene-4-sulfonylamino)-propyl]-benzamidine

SMILES: Cc1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=[NH2+])C(=O)N1CCCCC1

InChI Key: InChIKey=RNNMXTSTLVYYQG-UHFFFAOYSA-O

Data: 1 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113849   
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
Trypsin-1


(Homo sapiens (Human))
BDBM50113849
PNG
(3-[3-Oxo-3-piperidin-1-yl-2-(toluene-4-sulfonylami...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=[NH2+])C(=O)N1CCCCC1
Show InChI InChI=1S/C22H28N4O3S/c1-16-8-10-19(11-9-16)30(28,29)25-20(22(27)26-12-3-2-4-13-26)15-17-6-5-7-18(14-17)21(23)24/h5-11,14,20,25H,2-4,12-13,15H2,1H3,(H3,23,24)/p+1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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AffyNet 
PC cid
PC sid
UniChem
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against bovine trypsin


J Med Chem 45: 2469-83 (2002)


BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair