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BDBM50293394 (R)-N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(3-amino-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetamide, bistrifluoroacetate::CHEMBL558275

SMILES: Cc1nc(N)ccc1CNC(=O)CN1c2ccccc2SC[C@H](N)C1=O

InChI Key: InChIKey=UQMQDENIEBTYNQ-ZDUSSCGKSA-N

Data: 2 IC50

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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 = 50293394   
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 VII/tissue factor


(Homo sapiens (Human))
BDBM50293394
PNG
((R)-N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(3-...)
Show SMILES Cc1nc(N)ccc1CNC(=O)CN1c2ccccc2SC[C@H](N)C1=O |r|
Show InChI InChI=1S/C18H21N5O2S/c1-11-12(6-7-16(20)22-11)8-21-17(24)9-23-14-4-2-3-5-15(14)26-10-13(19)18(23)25/h2-7,13H,8-10,19H2,1H3,(H2,20,22)(H,21,24)/t13-/m0/s1
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PC cid
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Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Bioorg Med Chem Lett 19: 1386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50293394
PNG
((R)-N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(3-...)
Show SMILES Cc1nc(N)ccc1CNC(=O)CN1c2ccccc2SC[C@H](N)C1=O |r|
Show InChI InChI=1S/C18H21N5O2S/c1-11-12(6-7-16(20)22-11)8-21-17(24)9-23-14-4-2-3-5-15(14)26-10-13(19)18(23)25/h2-7,13H,8-10,19H2,1H3,(H2,20,22)(H,21,24)/t13-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.80E+4n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human factor 2a by spectrophotometry


Bioorg Med Chem Lett 19: 1386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB
More data for this
Ligand-Target Pair