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BDBM50457931 CHEMBL4213790

SMILES: [O-][N+](=O)c1ccc2c(c1)nc(oc2=O)-c1c(F)cccc1F

InChI Key: InChIKey=NYMLARLMSVMPLI-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50457931   
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))
BDBM50457931
PNG
(CHEMBL4213790)
Show SMILES [O-][N+](=O)c1ccc2c(c1)nc(oc2=O)-c1c(F)cccc1F
Show InChI InChI=1S/C14H6F2N2O4/c15-9-2-1-3-10(16)12(9)13-17-11-6-7(18(20)21)4-5-8(11)14(19)22-13/h1-6H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.12E+5n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using S-2765 as substrate measured for 10 mins


Eur J Med Chem 146: 299-317 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.067
BindingDB Entry DOI: 10.7270/Q2251MTJ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50457931
PNG
(CHEMBL4213790)
Show SMILES [O-][N+](=O)c1ccc2c(c1)nc(oc2=O)-c1c(F)cccc1F
Show InChI InChI=1S/C14H6F2N2O4/c15-9-2-1-3-10(16)12(9)13-17-11-6-7(18(20)21)4-5-8(11)14(19)22-13/h1-6H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin) using S-2238 as substrate measured for 10 mins


Eur J Med Chem 146: 299-317 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.067
BindingDB Entry DOI: 10.7270/Q2251MTJ
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50457931
PNG
(CHEMBL4213790)
Show SMILES [O-][N+](=O)c1ccc2c(c1)nc(oc2=O)-c1c(F)cccc1F
Show InChI InChI=1S/C14H6F2N2O4/c15-9-2-1-3-10(16)12(9)13-17-11-6-7(18(20)21)4-5-8(11)14(19)22-13/h1-6H
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 820n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of tissue factor/factor 7a (unknown origin)-induced factor 10 activation using S-2765 as substrate preincubated for 5 mins followed by sub...


Eur J Med Chem 146: 299-317 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.067
BindingDB Entry DOI: 10.7270/Q2251MTJ
More data for this
Ligand-Target Pair