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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50090240'   
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))		BDBM50090240
PNG
(8-{(S)-1-Benzothiazol-2-ylmethyl-2-[4-(2-fluoro-et...)
Show SMILES CC1(C)CNc2c(C1)cc(cc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1)C(O)=O
Show InChI InChI=1S/C29H35FN4O5S2/c1-29(2)16-20-13-19(28(36)37)14-24(26(20)31-17-29)41(38,39)33-22(15-25-32-21-5-3-4-6-23(21)40-25)27(35)34-11-8-18(7-10-30)9-12-34/h3-6,13-14,18,22,31,33H,7-12,15-17H2,1-2H3,(H,36,37)/t22-/m0/s1
PDB

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PC sid
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Similars
PubMed
 359n/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