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SMILES: Fc1cc(ccc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)s2)n1)-n1ccccc1=O

InChI Key: InChIKey=ZDVWPPSVXOLKIO-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50295579   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50295579
PNG
(5-chloro-N-(4-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-y...)
Show SMILES Fc1cc(ccc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)s2)n1)-n1ccccc1=O
Show InChI InChI=1S/C21H14ClFN4O3S2/c22-17-7-6-16(32-17)20(30)26-21-24-12(11-31-21)9-18(28)25-15-5-4-13(10-14(15)23)27-8-2-1-3-19(27)29/h1-8,10-11H,9H2,(H,25,28)(H,24,26,30)
PDB
MMDB

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Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50295579
PNG
(5-chloro-N-(4-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-y...)
Show SMILES Fc1cc(ccc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)s2)n1)-n1ccccc1=O
Show InChI InChI=1S/C21H14ClFN4O3S2/c22-17-7-6-16(32-17)20(30)26-21-24-12(11-31-21)9-18(28)25-15-5-4-13(10-14(15)23)27-8-2-1-3-19(27)29/h1-8,10-11H,9H2,(H,25,28)(H,24,26,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>3.50E+4n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to thrombin


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair