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SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1nc(CN)cs1

InChI Key: InChIKey=WYQRAGPLMGNLNP-UHFFFAOYSA-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 = 50111719   
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))
BDBM50111719
PNG
(CHEMBL19037 | N-(4-Aminomethyl-thiazol-2-ylmethyl)...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1nc(CN)cs1
Show InChI InChI=1S/C20H23N5O4S2/c1-14-7-8-17(24-31(28,29)13-15-5-3-2-4-6-15)20(27)25(14)11-18(26)22-10-19-23-16(9-21)12-30-19/h2-8,12,24H,9-11,13,21H2,1H3,(H,22,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
136n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50111719
PNG
(CHEMBL19037 | N-(4-Aminomethyl-thiazol-2-ylmethyl)...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1nc(CN)cs1
Show InChI InChI=1S/C20H23N5O4S2/c1-14-7-8-17(24-31(28,29)13-15-5-3-2-4-6-15)20(27)25(14)11-18(26)22-10-19-23-16(9-21)12-30-19/h2-8,12,24H,9-11,13,21H2,1H3,(H,22,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>168n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against trypsin


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111719
PNG
(CHEMBL19037 | N-(4-Aminomethyl-thiazol-2-ylmethyl)...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1nc(CN)cs1
Show InChI InChI=1S/C20H23N5O4S2/c1-14-7-8-17(24-31(28,29)13-15-5-3-2-4-6-15)20(27)25(14)11-18(26)22-10-19-23-16(9-21)12-30-19/h2-8,12,24H,9-11,13,21H2,1H3,(H,22,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>338n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against factor Xa (FXa) was tested


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair