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BDBM50069050 (S)-3-(4-Aminomethyl-phenyl)-N-benzyl-2-(naphthalene-2-sulfonylamino)-propionamide::CHEMBL349653

SMILES: NCc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)NCc2ccccc2)cc1

InChI Key: InChIKey=QCOOXVOPOLPGRJ-SANMLTNESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50069050   
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))		BDBM50069050
PNG
((S)-3-(4-Aminomethyl-phenyl)-N-benzyl-2-(naphthale...)
Show SMILES NCc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C27H27N3O3S/c28-18-21-12-10-20(11-13-21)16-26(27(31)29-19-22-6-2-1-3-7-22)30-34(32,33)25-15-14-23-8-4-5-9-24(23)17-25/h1-15,17,26,30H,16,18-19,28H2,(H,29,31)/t26-/m0/s1
PDB

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PC sid
UniChem

Similars
PubMed
 9.72E+4n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant was evaluated for inhibitory activity against the blood coagulant thrombin

Bioorg Med Chem Lett 8: 735-8 (1999)


BindingDB Entry DOI: 10.7270/Q2668C95
More data for this
Ligand-Target Pair