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BDBM50070632 4-[2-(3-Benzenesulfonylamino-phenoxy)-ethylamino]-pyridinium::CHEMBL23813::N-{3-[2-(Pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide

SMILES: O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccccc1

InChI Key: InChIKey=QHNMEYRLLYBYGG-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50070632   
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 and coagulation factor X


(Homo sapiens (Human))
BDBM50070632
PNG
(4-[2-(3-Benzenesulfonylamino-phenoxy)-ethylamino]-...)
Show SMILES O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccccc1
Show InChI InChI=1S/C19H19N3O3S/c23-26(24,19-7-2-1-3-8-19)22-17-5-4-6-18(15-17)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21)
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23n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 42: 3251-64 (1999)


Article DOI: 10.1021/jm9806998
BindingDB Entry DOI: 10.7270/Q2CF9QSX
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50070632
PNG
(4-[2-(3-Benzenesulfonylamino-phenoxy)-ethylamino]-...)
Show SMILES O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccccc1
Show InChI InChI=1S/C19H19N3O3S/c23-26(24,19-7-2-1-3-8-19)22-17-5-4-6-18(15-17)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21)
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Article
300n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.


Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50070632
PNG
(4-[2-(3-Benzenesulfonylamino-phenoxy)-ethylamino]-...)
Show SMILES O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccccc1
Show InChI InChI=1S/C19H19N3O3S/c23-26(24,19-7-2-1-3-8-19)22-17-5-4-6-18(15-17)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21)
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300n/an/an/an/an/an/an/an/a



Pharmazeutisch-Chemisches Institut der Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 8: 1613-8 (1999)


BindingDB Entry DOI: 10.7270/Q2VH5N09
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50070632
PNG
(4-[2-(3-Benzenesulfonylamino-phenoxy)-ethylamino]-...)
Show SMILES O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccccc1
Show InChI InChI=1S/C19H19N3O3S/c23-26(24,19-7-2-1-3-8-19)22-17-5-4-6-18(15-17)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21)
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316n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin.


J Med Chem 46: 1293-305 (2003)


Article DOI: 10.1021/jm021028j
BindingDB Entry DOI: 10.7270/Q2SX6CMZ
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50070632
PNG
(4-[2-(3-Benzenesulfonylamino-phenoxy)-ethylamino]-...)
Show SMILES O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccccc1
Show InChI InChI=1S/C19H19N3O3S/c23-26(24,19-7-2-1-3-8-19)22-17-5-4-6-18(15-17)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21)
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KEGG

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Article
>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.


Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50070632
PNG
(4-[2-(3-Benzenesulfonylamino-phenoxy)-ethylamino]-...)
Show SMILES O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccccc1
Show InChI InChI=1S/C19H19N3O3S/c23-26(24,19-7-2-1-3-8-19)22-17-5-4-6-18(15-17)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
>5.00E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.


Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair