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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor VII' and Ligand = 'BDBM14597'   
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 VII


(Homo sapiens (Human))
BDBM14597
PNG
(2-[3-Amino-3-fluoro-4-(isopropylamino)-1,1-bipheny...)
Show SMILES CC(C)Nc1ccc(-c2cccc(N)c2)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1F
Show InChI InChI=1S/C25H28FN5O/c1-15(2)31-22-11-10-20(18-4-3-5-19(27)12-18)21(24(22)26)13-23(32)30-14-16-6-8-17(9-7-16)25(28)29/h3-12,15,31H,13-14,27H2,1-2H3,(H3,28,29)(H,30,32)
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Article
PubMed
n/an/a 340n/an/an/an/a8.022



Pharmacia Corporation



Assay Description
Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...


J Med Chem 46: 4297-312 (2003)


Article DOI: 10.1021/jm030233b
BindingDB Entry DOI: 10.7270/Q2B27SJR
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14597
PNG
(2-[3-Amino-3-fluoro-4-(isopropylamino)-1,1-bipheny...)
Show SMILES CC(C)Nc1ccc(-c2cccc(N)c2)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1F
Show InChI InChI=1S/C25H28FN5O/c1-15(2)31-22-11-10-20(18-4-3-5-19(27)12-18)21(24(22)26)13-23(32)30-14-16-6-8-17(9-7-16)25(28)29/h3-12,15,31H,13-14,27H2,1-2H3,(H3,28,29)(H,30,32)
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Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-Dphenylalanyl-L-pipecolyl-L-arginine-p-nitroaniline dihydrochloride as substrate after 60 mins


J Med Chem 61: 5822-5880 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01788
BindingDB Entry DOI: 10.7270/Q232008T
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14597
PNG
(2-[3-Amino-3-fluoro-4-(isopropylamino)-1,1-bipheny...)
Show SMILES CC(C)Nc1ccc(-c2cccc(N)c2)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1F
Show InChI InChI=1S/C25H28FN5O/c1-15(2)31-22-11-10-20(18-4-3-5-19(27)12-18)21(24(22)26)13-23(32)30-14-16-6-8-17(9-7-16)25(28)29/h3-12,15,31H,13-14,27H2,1-2H3,(H3,28,29)(H,30,32)
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Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


J Med Chem 51: 282-97 (2008)


Article DOI: 10.1021/jm701217r
BindingDB Entry DOI: 10.7270/Q2K64HTF
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14597
PNG
(2-[3-Amino-3-fluoro-4-(isopropylamino)-1,1-bipheny...)
Show SMILES CC(C)Nc1ccc(-c2cccc(N)c2)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1F
Show InChI InChI=1S/C25H28FN5O/c1-15(2)31-22-11-10-20(18-4-3-5-19(27)12-18)21(24(22)26)13-23(32)30-14-16-6-8-17(9-7-16)25(28)29/h3-12,15,31H,13-14,27H2,1-2H3,(H3,28,29)(H,30,32)
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PubMed
n/an/a 340n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against tissue coagulation factor VII


Bioorg Med Chem Lett 13: 3721-5 (2003)


BindingDB Entry DOI: 10.7270/Q2QR4WJ5
More data for this
Ligand-Target Pair