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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50291006'   
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))		BDBM50291006
PNG
(4-[2-(1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarb...)
Show SMILES COC(=O)C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C23H34N6O7S/c1-36-19(30)13-17(27-37(34,35)14-15-7-3-2-4-8-15)22(33)28-11-6-10-18(28)20(31)26-16-9-5-12-29(21(16)32)23(24)25/h2-4,7-8,16-18,21,27,32H,5-6,9-14H2,1H3,(H3,24,25)(H,26,31)/t16-,17-,18?,21?/m0/s1
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Similars
Article
n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibitory concentration required to inhibit human serine protease enzyme thrombin (FIIa) by 50%

Bioorg Med Chem Lett 7: 331-336 (1997)


Article DOI: 10.1016/S0960-894X(97)00004-8
BindingDB Entry DOI: 10.7270/Q2Z03850
More data for this
Ligand-Target Pair