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BDBM50090252 8-{(S)-1-Benzothiazol-2-ylmethyl-2-[4-(2-fluoro-ethyl)-piperidin-1-yl]-2-oxo-ethylsulfamoyl}-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester::CHEMBL440109

SMILES: CCOC(=O)c1cc2CC(C)(C)CNc2c(c1)S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1

InChI Key: InChIKey=ATXWYBHXYMMUAR-DEOSSOPVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50090252   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prothrombin


(Homo sapiens (Human))		BDBM50090252
PNG
(8-{(S)-1-Benzothiazol-2-ylmethyl-2-[4-(2-fluoro-et...)
Show SMILES CCOC(=O)c1cc2CC(C)(C)CNc2c(c1)S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C31H39FN4O5S2/c1-4-41-30(38)21-15-22-18-31(2,3)19-33-28(22)26(16-21)43(39,40)35-24(17-27-34-23-7-5-6-8-25(23)42-27)29(37)36-13-10-20(9-12-32)11-14-36/h5-8,15-16,20,24,33,35H,4,9-14,17-19H2,1-3H3/t24-/m0/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem

Similars
PubMed
 723n/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