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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50291005'   
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))		BDBM50291005
PNG
(5-Oxo-6-phenylmethanesulfonylamino-hexahydro-thiaz...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)C2CS[C@H]3CC[C@H](NS(=O)(=O)Cc4ccccc4)C(=O)N23)C1O
Show InChI InChI=1S/C21H30N6O5S2/c22-21(23)26-10-4-7-14(19(26)29)24-18(28)16-11-33-17-9-8-15(20(30)27(16)17)25-34(31,32)12-13-5-2-1-3-6-13/h1-3,5-6,14-17,19,25,29H,4,7-12H2,(H3,22,23)(H,24,28)/t14-,15-,16?,17-,19?/m0/s1
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Similars
Article
n/an/a 16n/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