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SMILES: NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)C(=O)c1nccs1

InChI Key: InChIKey=GSLUDBOIFWCRJT-QKDODKLFSA-N

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50457932   
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
Prothrombin


(Homo sapiens (Human))
BDBM50457932
PNG
(CHEMBL4202662)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)C(=O)c1nccs1 |r|
Show InChI InChI=1S/C32H36N8O5S2/c33-32(34)37-16-8-14-25(28(41)31-36-17-18-46-31)38-29(42)26(20-23-11-7-15-35-21-23)39-30(43)27(19-22-9-3-1-4-10-22)40-47(44,45)24-12-5-2-6-13-24/h1-7,9-13,15,17-18,21,25-27,40H,8,14,16,19-20H2,(H,38,42)(H,39,43)(H4,33,34,37)/t25-,26-,27-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using H-D-phenylalanyl-L-pipecolyl-L-arginine-p-nitroaniline dihydrochloride as substrate after 60 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))
BDBM50457932
PNG
(CHEMBL4202662)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)C(=O)c1nccs1 |r|
Show InChI InChI=1S/C32H36N8O5S2/c33-32(34)37-16-8-14-25(28(41)31-36-17-18-46-31)38-29(42)26(20-23-11-7-15-35-21-23)39-30(43)27(19-22-9-3-1-4-10-22)40-47(44,45)24-12-5-2-6-13-24/h1-7,9-13,15,17-18,21,25-27,40H,8,14,16,19-20H2,(H,38,42)(H,39,43)(H4,33,34,37)/t25-,26-,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble tissue factor (unknown origin)/recombinant human factor 7a using N-methylsulfonyl-D-phe-gly arg-p-nitroaniline as s...


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