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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Thrombin and coagulation factor X' and Ligand = 'BDBM50070632'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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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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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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)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
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