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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50182200'   
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))		BDBM50182200
PNG
(((R)-2-{(S)-4-[(6-carbamimidoyl-pyridin-3-ylmethyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2COCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1
Show InChI InChI=1S/C22H32N6O5/c23-20(24)16-7-6-15(9-25-16)10-27-21(31)18-12-33-13-28(18)22(32)17(26-11-19(29)30)8-14-4-2-1-3-5-14/h6-7,9,14,17-18,26H,1-5,8,10-13H2,(H3,23,24)(H,27,31)(H,29,30)/t17-,18+/m1/s1
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PC sid
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Article
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n/an/a 288n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay

Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair