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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50167030'   
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))		BDBM50167030
PNG
(4-(2-Carbamimidoyl-2,3,4,5-tetrahydro-1H-benzo[c]a...)
Show SMILES NC(=N)N1CCCc2ccc(OCC3(CCN(CC3)c3ccncc3)C(O)=O)cc2C1
Show InChI InChI=1S/C23H29N5O3/c24-22(25)28-11-1-2-17-3-4-20(14-18(17)15-28)31-16-23(21(29)30)7-12-27(13-8-23)19-5-9-26-10-6-19/h3-6,9-10,14H,1-2,7-8,11-13,15-16H2,(H3,24,25)(H,29,30)
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars
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