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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 = 'BDBM12988'   
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))
BDBM12988
PNG
(5-Chloro-N-{[(5S)-3-(3-fluoro-4-thiomorpholin-4-yl...)
Show SMILES Fc1cc(ccc1N1CCSCC1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C19H19ClFN3O3S2/c20-17-4-3-16(29-17)18(25)22-10-13-11-24(19(26)27-13)12-1-2-15(14(21)9-12)23-5-7-28-8-6-23/h1-4,9,13H,5-8,10-11H2,(H,22,25)/t13-/m0/s1
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Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


J Med Chem 53: 6243-74 (2010)


Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12988
PNG
(5-Chloro-N-{[(5S)-3-(3-fluoro-4-thiomorpholin-4-yl...)
Show SMILES Fc1cc(ccc1N1CCSCC1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C19H19ClFN3O3S2/c20-17-4-3-16(29-17)18(25)22-10-13-11-24(19(26)27-13)12-1-2-15(14(21)9-12)23-5-7-28-8-6-23/h1-4,9,13H,5-8,10-11H2,(H,22,25)/t13-/m0/s1
PDB
MMDB

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KEGG

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B.MOAD
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antibodypedia
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AffyNet 
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PC sid
UniChem

Patents


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Article
PubMed
n/an/a 90n/an/an/an/a8.325



Bayer HealthCare AG



Assay Description
The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...


J Med Chem 48: 5900-8 (2005)


Article DOI: 10.1021/jm050101d
BindingDB Entry DOI: 10.7270/Q2J38QR6
More data for this
Ligand-Target Pair