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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50167020'   
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))		BDBM50167020
PNG
(4-(7-Carbamimidoyl-naphthalen-2-yloxymethyl)-3,4,5...)
Show SMILES NC(=N)c1ccc2ccc(OCC3(CCN(CC3)c3ccncc3)C(O)=O)cc2c1
Show InChI InChI=1S/C23H24N4O3/c24-21(25)17-2-1-16-3-4-20(14-18(16)13-17)30-15-23(22(28)29)7-11-27(12-8-23)19-5-9-26-10-6-19/h1-6,9-10,13-14H,7-8,11-12,15H2,(H3,24,25)(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor II (thrombin)

J Med Chem 48: 3586-604 (2005)


Article DOI: 10.1021/jm058160e
BindingDB Entry DOI: 10.7270/Q2CR5V36
More data for this
Ligand-Target Pair