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BDBM50060037 3-[3-(4-Ethanesulfonyl-piperazin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine::CHEMBL323304

SMILES: CCS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=CRZUXECLHOVBBI-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50060037   
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


(Bos taurus (Bovine))
BDBM50060037
PNG
(3-[3-(4-Ethanesulfonyl-piperazin-1-yl)-2-(naphthal...)
Show SMILES CCS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O5S2/c1-2-37(33,34)31-14-12-30(13-15-31)26(32)24(17-19-6-5-9-22(16-19)25(27)28)29-38(35,36)23-11-10-20-7-3-4-8-21(20)18-23/h3-11,16,18,24,29H,2,12-15,17H2,1H3,(H3,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
44n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060037
PNG
(3-[3-(4-Ethanesulfonyl-piperazin-1-yl)-2-(naphthal...)
Show SMILES CCS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O5S2/c1-2-37(33,34)31-14-12-30(13-15-31)26(32)24(17-19-6-5-9-22(16-19)25(27)28)29-38(35,36)23-11-10-20-7-3-4-8-21(20)18-23/h3-11,16,18,24,29H,2,12-15,17H2,1H3,(H3,27,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
190n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50060037
PNG
(3-[3-(4-Ethanesulfonyl-piperazin-1-yl)-2-(naphthal...)
Show SMILES CCS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O5S2/c1-2-37(33,34)31-14-12-30(13-15-31)26(32)24(17-19-6-5-9-22(16-19)25(27)28)29-38(35,36)23-11-10-20-7-3-4-8-21(20)18-23/h3-11,16,18,24,29H,2,12-15,17H2,1H3,(H3,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.50E+3n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50060037
PNG
(3-[3-(4-Ethanesulfonyl-piperazin-1-yl)-2-(naphthal...)
Show SMILES CCS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O5S2/c1-2-37(33,34)31-14-12-30(13-15-31)26(32)24(17-19-6-5-9-22(16-19)25(27)28)29-38(35,36)23-11-10-20-7-3-4-8-21(20)18-23/h3-11,16,18,24,29H,2,12-15,17H2,1H3,(H3,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
2.40E+4n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor X.


J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair