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BDBM50117692 CHEMBL3613791

SMILES: NC(=N)c1ccc(cc1)C1C2C(C3CCCN13)C(=O)N(Cc1ccccc1)C2=O

InChI Key: InChIKey=QKVYJJDWLBNNSF-UHFFFAOYNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50117692   
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))
BDBM50117692
PNG
(CHEMBL3613791)
Show SMILES NC(=N)c1ccc(cc1)C1C2C(C3CCCN13)C(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1/C23H24N4O2/c24-21(25)16-10-8-15(9-11-16)20-19-18(17-7-4-12-26(17)20)22(28)27(23(19)29)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-20H,4,7,12-13H2,(H3,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
310n/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