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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 = 'BDBM7532'   
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))
BDBM7532
PNG
(BAY 59-7939 Analog 10 | US8822458, 11)
Show SMILES Fc1cc(ccc1N1CCNCC1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C19H20ClFN4O3S/c20-17-4-3-16(29-17)18(26)23-10-13-11-25(19(27)28-13)12-1-2-15(14(21)9-12)24-7-5-22-6-8-24/h1-4,9,13,22H,5-8,10-11H2,(H,23,26)/t13-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/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
Coagulation factor X


(Homo sapiens (Human))
BDBM7532
PNG
(BAY 59-7939 Analog 10 | US8822458, 11)
Show SMILES Fc1cc(ccc1N1CCNCC1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
Show InChI InChI=1S/C19H20ClFN4O3S/c20-17-4-3-16(29-17)18(26)23-10-13-11-25(19(27)28-13)12-1-2-15(14(21)9-12)24-7-5-22-6-8-24/h1-4,9,13,22H,5-8,10-11H2,(H,23,26)/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 140n/an/an/an/an/a25



Bayer Intellectual Property GmbH

US Patent


Assay Description
The enzymatic activity of human factor Xa (FXa) was measured using the conversion of a chromogenic substrate specific for FXa. Factor Xa cleaves p-ni...


US Patent US8822458 (2014)


BindingDB Entry DOI: 10.7270/Q2VH5MJ2
More data for this
Ligand-Target Pair