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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50080489   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50080489
PNG
(3-[(S)-3-(2'-Methoxy-biphenyl-4-sulfonylamino)-2-o...)
Show SMILES COc1ccccc1-c1ccc(cc1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C25H26N4O4S/c1-33-23-8-3-2-7-21(23)18-9-11-20(12-10-18)34(31,32)28-22-13-14-29(25(22)30)16-17-5-4-6-19(15-17)24(26)27/h2-12,15,22,28H,13-14,16H2,1H3,(H3,26,27)/t22-/m0/s1
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Article
PubMed
190n/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
Anionic trypsin


(Bos taurus)
BDBM50080489
PNG
(3-[(S)-3-(2'-Methoxy-biphenyl-4-sulfonylamino)-2-o...)
Show SMILES COc1ccccc1-c1ccc(cc1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C25H26N4O4S/c1-33-23-8-3-2-7-21(23)18-9-11-20(12-10-18)34(31,32)28-22-13-14-29(25(22)30)16-17-5-4-6-19(15-17)24(26)27/h2-12,15,22,28H,13-14,16H2,1H3,(H3,26,27)/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))
BDBM50080489
PNG
(3-[(S)-3-(2'-Methoxy-biphenyl-4-sulfonylamino)-2-o...)
Show SMILES COc1ccccc1-c1ccc(cc1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C25H26N4O4S/c1-33-23-8-3-2-7-21(23)18-9-11-20(12-10-18)34(31,32)28-22-13-14-29(25(22)30)16-17-5-4-6-19(15-17)24(26)27/h2-12,15,22,28H,13-14,16H2,1H3,(H3,26,27)/t22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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