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SMILES: NC(=N)N1CCC(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)CC1

InChI Key: InChIKey=VVFLUHKCTNQCLU-FQEVSTJZSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50110397   
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))
BDBM50110397
PNG
(4-{3-[(S)-3-(2,3-Dihydro-benzofuran-5-sulfonylamin...)
Show SMILES NC(=N)N1CCC(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)CC1
Show InChI InChI=1S/C23H33N5O5S/c24-23(25)27-10-6-16(7-11-27)13-18(29)15-28-9-2-1-3-20(22(28)30)26-34(31,32)19-4-5-21-17(14-19)8-12-33-21/h4-5,14,16,20,26H,1-3,6-13,15H2,(H3,24,25)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
24n/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
Serine protease 1/Trypsin-2/Trypsin-3


(Homo sapiens (Human))
BDBM50110397
PNG
(4-{3-[(S)-3-(2,3-Dihydro-benzofuran-5-sulfonylamin...)
Show SMILES NC(=N)N1CCC(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)CC1
Show InChI InChI=1S/C23H33N5O5S/c24-23(25)27-10-6-16(7-11-27)13-18(29)15-28-9-2-1-3-20(22(28)30)26-34(31,32)19-4-5-21-17(14-19)8-12-33-21/h4-5,14,16,20,26H,1-3,6-13,15H2,(H3,24,25)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
873n/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