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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50080502   
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
Anionic trypsin


(Bos taurus)
BDBM50080502
PNG
(3-[(S)-3-(Naphthalene-2-sulfonylamino)-2-oxo-azepa...)
Show SMILES NC(=N)c1cccc(CN2CCCC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)c1
Show InChI InChI=1S/C24H26N4O3S/c25-23(26)20-9-5-6-17(14-20)16-28-13-4-3-10-22(24(28)29)27-32(30,31)21-12-11-18-7-1-2-8-19(18)15-21/h1-2,5-9,11-12,14-15,22,27H,3-4,10,13,16H2,(H3,25,26)/t22-/m0/s1
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Article
PubMed
>2.90E+3n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic trypsin


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50080502
PNG
(3-[(S)-3-(Naphthalene-2-sulfonylamino)-2-oxo-azepa...)
Show SMILES NC(=N)c1cccc(CN2CCCC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)c1
Show InChI InChI=1S/C24H26N4O3S/c25-23(26)20-9-5-6-17(14-20)16-28-13-4-3-10-22(24(28)29)27-32(30,31)21-12-11-18-7-1-2-8-19(18)15-21/h1-2,5-9,11-12,14-15,22,27H,3-4,10,13,16H2,(H3,25,26)/t22-/m0/s1
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antibodypedia
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Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50080502
PNG
(3-[(S)-3-(Naphthalene-2-sulfonylamino)-2-oxo-azepa...)
Show SMILES NC(=N)c1cccc(CN2CCCC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)c1
Show InChI InChI=1S/C24H26N4O3S/c25-23(26)20-9-5-6-17(14-20)16-28-13-4-3-10-22(24(28)29)27-32(30,31)21-12-11-18-7-1-2-8-19(18)15-21/h1-2,5-9,11-12,14-15,22,27H,3-4,10,13,16H2,(H3,25,26)/t22-/m0/s1
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Article
PubMed
7.00E+3n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair