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BDBM50293375 (R)-4-(5-(2-(4-carbamimidoylbenzylamino)-2-oxoethyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-ylamino)-4-oxobutanoic acid, trifluoroacetic acid::CHEMBL557679

SMILES: NC(=N)c1ccc(CNC(=O)CN2c3ccccc3SC[C@H](NC(=O)CCC(O)=O)C2=O)cc1

InChI Key: InChIKey=BAHUOFJAFQYNBN-INIZCTEOSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50293375   
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))
BDBM50293375
PNG
((R)-4-(5-(2-(4-carbamimidoylbenzylamino)-2-oxoethy...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3ccccc3SC[C@H](NC(=O)CCC(O)=O)C2=O)cc1
Show InChI InChI=1S/C23H25N5O5S/c24-22(25)15-7-5-14(6-8-15)11-26-20(30)12-28-17-3-1-2-4-18(17)34-13-16(23(28)33)27-19(29)9-10-21(31)32/h1-8,16H,9-13H2,(H3,24,25)(H,26,30)(H,27,29)(H,31,32)/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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 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))
BDBM50293375
PNG
((R)-4-(5-(2-(4-carbamimidoylbenzylamino)-2-oxoethy...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3ccccc3SC[C@H](NC(=O)CCC(O)=O)C2=O)cc1
Show InChI InChI=1S/C23H25N5O5S/c24-22(25)15-7-5-14(6-8-15)11-26-20(30)12-28-17-3-1-2-4-18(17)34-13-16(23(28)33)27-19(29)9-10-21(31)32/h1-8,16H,9-13H2,(H3,24,25)(H,26,30)(H,27,29)(H,31,32)/t16-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.77E+4n/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