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SMILES: CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccoc1

InChI Key: InChIKey=QAIZMIBCSNGQKN-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 31489   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor VII


(Homo sapiens (Human))
BDBM31489
PNG
(substituted biphenyl derivative, 36ac)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccoc1
Show InChI InChI=1S/C30H28N4O5/c1-17(2)15-33-28(35)20-6-10-24(26(14-20)30(37)38)23-9-5-19(21-11-12-39-16-21)13-25(23)29(36)34-22-7-3-18(4-8-22)27(31)32/h3-14,16-17H,15H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)
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n/an/a 11n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM31489
PNG
(substituted biphenyl derivative, 36ac)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccoc1
Show InChI InChI=1S/C30H28N4O5/c1-17(2)15-33-28(35)20-6-10-24(26(14-20)30(37)38)23-9-5-19(21-11-12-39-16-21)13-25(23)29(36)34-22-7-3-18(4-8-22)27(31)32/h3-14,16-17H,15H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)
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n/an/a 470n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
Trypsin assay reactions were performed in a mixture containing trypsin, and test compounds were added at varied concentrations. The reactions were in...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM31489
PNG
(substituted biphenyl derivative, 36ac)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccoc1
Show InChI InChI=1S/C30H28N4O5/c1-17(2)15-33-28(35)20-6-10-24(26(14-20)30(37)38)23-9-5-19(21-11-12-39-16-21)13-25(23)29(36)34-22-7-3-18(4-8-22)27(31)32/h3-14,16-17H,15H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)
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n/an/a 120n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM31489
PNG
(substituted biphenyl derivative, 36ac)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccoc1
Show InChI InChI=1S/C30H28N4O5/c1-17(2)15-33-28(35)20-6-10-24(26(14-20)30(37)38)23-9-5-19(21-11-12-39-16-21)13-25(23)29(36)34-22-7-3-18(4-8-22)27(31)32/h3-14,16-17H,15H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)
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n/an/a 252n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
The assay is an amidolytic assay based upon the absorbance of derivatized thiols from the hydrolysis of Z-Lys-SBzl (Bachem) in the presence of 5,5-Di...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM31489
PNG
(substituted biphenyl derivative, 36ac)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccoc1
Show InChI InChI=1S/C30H28N4O5/c1-17(2)15-33-28(35)20-6-10-24(26(14-20)30(37)38)23-9-5-19(21-11-12-39-16-21)13-25(23)29(36)34-22-7-3-18(4-8-22)27(31)32/h3-14,16-17H,15H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)
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n/an/a 1.61E+4n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
Thrombin assay reactions were performed in a reaction mixture containing thrombin, and test compounds were added at varied concentrations. The reacti...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair