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SMILES: CC(=O)N1CCN(C[C@H](Cc2ccccc2)Nc2ccncc2S(=O)(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N2CCC(CCF)CC2)CC1

InChI Key: InChIKey=LBEXHCKGJPWZCK-TWJUONSBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073287   
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))		BDBM50073287
PNG
(4-[(S)-2-(4-Acetyl-piperazin-1-yl)-1-benzyl-ethyla...)
Show SMILES CC(=O)N1CCN(C[C@H](Cc2ccccc2)Nc2ccncc2S(=O)(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N2CCC(CCF)CC2)CC1
Show InChI InChI=1S/C36H48FN7O4S/c1-27(45)43-21-19-42(20-22-43)26-32(23-29-5-3-2-4-6-29)40-33-12-16-39-25-35(33)49(47,48)41-34(24-30-7-9-31(38)10-8-30)36(46)44-17-13-28(11-15-37)14-18-44/h2-10,12,16,25,28,32,34,41H,11,13-15,17-24,26,38H2,1H3,(H,39,40)/t32-,34-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 24n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for human thrombin.

Bioorg Med Chem Lett 8: 3583-8 (1999)


BindingDB Entry DOI: 10.7270/Q24B30GQ
More data for this
Ligand-Target Pair