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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50077053   
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))		BDBM50077053
PNG
((2-{1-[(S)-3-Benzothiazol-2-yl-2-(3,3-dimethyl-1,2...)
Show SMILES CC(C)(C)OC(=O)NCCC1CCN(CC1)C(=O)[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1cccc2CC(C)(C)CNc12
Show InChI InChI=1S/C33H45N5O5S2/c1-32(2,3)43-31(40)34-16-13-22-14-17-38(18-15-22)30(39)25(19-28-36-24-10-6-7-11-26(24)44-28)37-45(41,42)27-12-8-9-23-20-33(4,5)21-35-29(23)27/h6-12,22,25,35,37H,13-21H2,1-5H3,(H,34,40)/t25-/m0/s1
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Similars
PubMed
 52n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
Inhibition of human thrombin (in vitro)

Bioorg Med Chem Lett 9: 1317-22 (1999)


BindingDB Entry DOI: 10.7270/Q2ZW1K31
More data for this
Ligand-Target Pair