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SMILES: NC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1

InChI Key: InChIKey=HJPWRDMWCBCSDO-NRFANRHFSA-N

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 3 hits for monomerid = 50110385   
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))
BDBM50110385
PNG
(4-[2-Oxo-3-((S)-2-oxo-3-phenylmethanesulfonylamino...)
Show SMILES NC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C23H28N4O4S/c24-22(25)19-11-9-17(10-12-19)14-20(28)15-27-13-5-4-8-21(23(27)29)26-32(30,31)16-18-6-2-1-3-7-18/h1-3,6-7,9-12,21,26H,4-5,8,13-16H2,(H3,24,25)/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
19n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human thrombin (FIIa) determined in vitro


Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50110385
PNG
(4-[2-Oxo-3-((S)-2-oxo-3-phenylmethanesulfonylamino...)
Show SMILES NC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C23H28N4O4S/c24-22(25)19-11-9-17(10-12-19)14-20(28)15-27-13-5-4-8-21(23(27)29)26-32(30,31)16-18-6-2-1-3-7-18/h1-3,6-7,9-12,21,26H,4-5,8,13-16H2,(H3,24,25)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
85n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against trypsin determined in Vitro


Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50110385
PNG
(4-[2-Oxo-3-((S)-2-oxo-3-phenylmethanesulfonylamino...)
Show SMILES NC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C23H28N4O4S/c24-22(25)19-11-9-17(10-12-19)14-20(28)15-27-13-5-4-8-21(23(27)29)26-32(30,31)16-18-6-2-1-3-7-18/h1-3,6-7,9-12,21,26H,4-5,8,13-16H2,(H3,24,25)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
315n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Coagulation factor Xa determined in Vitro


Bioorg Med Chem Lett 12: 743-8 (2002)


BindingDB Entry DOI: 10.7270/Q25B0319
More data for this
Ligand-Target Pair