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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM18971'   
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))
BDBM18971
PNG
(1-(4-methoxyphenyl)-3-methyl-N-[4-(2-sulfamoylphen...)
Show SMILES COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H22N4O4S/c1-16-15-22(28(27-16)19-11-13-20(32-2)14-12-19)24(29)26-18-9-7-17(8-10-18)21-5-3-4-6-23(21)33(25,30)31/h3-15H,1-2H3,(H,26,29)(H2,25,30,31)
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Article
PubMed
11n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of human Coagulation factor X


J Med Chem 46: 5298-315 (2003)


Article DOI: 10.1021/jm030212h
BindingDB Entry DOI: 10.7270/Q2ZW1MP2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18971
PNG
(1-(4-methoxyphenyl)-3-methyl-N-[4-(2-sulfamoylphen...)
Show SMILES COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C24H22N4O4S/c1-16-15-22(28(27-16)19-11-13-20(32-2)14-12-19)24(29)26-18-9-7-17(8-10-18)21-5-3-4-6-23(21)33(25,30)31/h3-15H,1-2H3,(H,26,29)(H2,25,30,31)
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
11 -45.0n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair