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BDBM50293389 CHEMBL553237::{(3S)-5-[2-({4-[Amino(imino)methyl]benzyl}amino)-2-oxoethyl]-3-[benzylsulfonylamino]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl}-acetic acid, trifluoroacetate

SMILES: NC(=N)c1ccc(CNC(=O)CN2c3cc(CC(O)=O)ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1

InChI Key: InChIKey=LYEDTVZFOVULFU-JOCHJYFZSA-N

Data: 3 IC50

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50293389   
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))
BDBM50293389
PNG
(CHEMBL553237 | {(3S)-5-[2-({4-[Amino(imino)methyl]...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(CC(O)=O)ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r|
Show InChI InChI=1S/C28H29N5O6S2/c29-27(30)21-9-6-18(7-10-21)14-31-25(34)15-33-23-12-20(13-26(35)36)8-11-24(23)40-16-22(28(33)37)32-41(38,39)17-19-4-2-1-3-5-19/h1-12,22,32H,13-17H2,(H3,29,30)(H,31,34)(H,35,36)/t22-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+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
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50293389
PNG
(CHEMBL553237 | {(3S)-5-[2-({4-[Amino(imino)methyl]...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(CC(O)=O)ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r|
Show InChI InChI=1S/C28H29N5O6S2/c29-27(30)21-9-6-18(7-10-21)14-31-25(34)15-33-23-12-20(13-26(35)36)8-11-24(23)40-16-22(28(33)37)32-41(38,39)17-19-4-2-1-3-5-19/h1-12,22,32H,13-17H2,(H3,29,30)(H,31,34)(H,35,36)/t22-/m1/s1
PDB
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.98E+3n/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
Coagulation factor X


(Homo sapiens (Human))
BDBM50293389
PNG
(CHEMBL553237 | {(3S)-5-[2-({4-[Amino(imino)methyl]...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(CC(O)=O)ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r|
Show InChI InChI=1S/C28H29N5O6S2/c29-27(30)21-9-6-18(7-10-21)14-31-25(34)15-33-23-12-20(13-26(35)36)8-11-24(23)40-16-22(28(33)37)32-41(38,39)17-19-4-2-1-3-5-19/h1-12,22,32H,13-17H2,(H3,29,30)(H,31,34)(H,35,36)/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by spectrometry


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