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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50090248'   
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))		BDBM50090248
PNG
(CHEMBL43397 | Methyl-carbamic acid 8-{(S)-1-benzot...)
Show SMILES CNC(=O)OCc1cc2CC(C)(C)CNc2c(c1)S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C31H40FN5O5S2/c1-31(2)17-22-14-21(18-42-30(39)33-3)15-26(28(22)34-19-31)44(40,41)36-24(16-27-35-23-6-4-5-7-25(23)43-27)29(38)37-12-9-20(8-11-32)10-13-37/h4-7,14-15,20,24,34,36H,8-13,16-19H2,1-3H3,(H,33,39)/t24-/m0/s1
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Similars
PubMed
 77n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity against thrombin

Bioorg Med Chem Lett 10: 1567-70 (2000)


BindingDB Entry DOI: 10.7270/Q2RX9BBS
More data for this
Ligand-Target Pair