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BDBM50117680 CHEMBL3613792

SMILES: NC(=N)c1ccc(cc1)C1C2C(C3CCCN13)C(=O)N(Cc1ccc(F)cc1)C2=O

InChI Key: InChIKey=GJYCQHGTXMVIBG-UHFFFAOYNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50117680   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50117680
PNG
(CHEMBL3613792)
Show SMILES NC(=N)c1ccc(cc1)C1C2C(C3CCCN13)C(=O)N(Cc1ccc(F)cc1)C2=O
Show InChI InChI=1/C23H23FN4O2/c24-16-9-3-13(4-10-16)12-28-22(29)18-17-2-1-11-27(17)20(19(18)23(28)30)14-5-7-15(8-6-14)21(25)26/h3-10,17-20H,1-2,11-12H2,(H3,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
57n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin)


J Med Chem 58: 7465-74 (2015)


BindingDB Entry DOI: 10.7270/Q25H7J2H
More data for this
Ligand-Target Pair