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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50071416'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prothrombin


(Homo sapiens (Human))		BDBM50071416
PNG
(3-[2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-oxo-6,7...)
Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)nc3OCC(=O)Nc23)c1
Show InChI InChI=1S/C22H20N6O6/c1-28(2)21(31)12-4-3-5-13(8-12)33-20-17-19(32-10-16(30)25-17)26-22(27-20)34-15-9-11(18(23)24)6-7-14(15)29/h3-9,29H,10H2,1-2H3,(H3,23,24)(H,25,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against human thrombin

Bioorg Med Chem Lett 8: 2235-40 (1999)


BindingDB Entry DOI: 10.7270/Q2G44PGD
More data for this
Ligand-Target Pair