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BDBM31497 substituted biphenyl derivative, 36ak

InChI string: InChI=1S/C31H30N4O5S/c1-17(2)13-34-29(37)20-6-10-24(26(12-20)31(39)40)23-9-5-19(27-16-41-15-21(27)14-36)11-25(23)30(38)35-22-7-3-18(4-8-22)28(32)33/h3-12,15-17,36H,13-14H2,1-2H3,(H3,32,33)(H,34,37)(H,35,38)(H,39,40)

SMILES: CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CO

InChI Key: InChIKey=RSIRPNPAPRYLFZ-UHFFFAOYSA-N

Data: 5 IC50

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 = 31497   
Target
(Institution)
LigandTarget
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))
BDBM31497
PNG
(substituted biphenyl derivative, 36ak)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CO
Show InChI InChI=1S/C31H30N4O5S/c1-17(2)13-34-29(37)20-6-10-24(26(12-20)31(39)40)23-9-5-19(27-16-41-15-21(27)14-36)11-25(23)30(38)35-22-7-3-18(4-8-22)28(32)33/h3-12,15-17,36H,13-14H2,1-2H3,(H3,32,33)(H,34,37)(H,35,38)(H,39,40)
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Article
PubMed
n/an/a 9n/an/an/an/a7.223



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)

More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM31497
PNG
(substituted biphenyl derivative, 36ak)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CO
Show InChI InChI=1S/C31H30N4O5S/c1-17(2)13-34-29(37)20-6-10-24(26(12-20)31(39)40)23-9-5-19(27-16-41-15-21(27)14-36)11-25(23)30(38)35-22-7-3-18(4-8-22)28(32)33/h3-12,15-17,36H,13-14H2,1-2H3,(H3,32,33)(H,34,37)(H,35,38)(H,39,40)
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PubMed
n/an/a 510n/an/an/an/a7.823



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)

More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM31497
PNG
(substituted biphenyl derivative, 36ak)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CO
Show InChI InChI=1S/C31H30N4O5S/c1-17(2)13-34-29(37)20-6-10-24(26(12-20)31(39)40)23-9-5-19(27-16-41-15-21(27)14-36)11-25(23)30(38)35-22-7-3-18(4-8-22)28(32)33/h3-12,15-17,36H,13-14H2,1-2H3,(H3,32,33)(H,34,37)(H,35,38)(H,39,40)
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n/an/a 130n/an/an/an/a7.223



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)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM31497
PNG
(substituted biphenyl derivative, 36ak)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CO
Show InChI InChI=1S/C31H30N4O5S/c1-17(2)13-34-29(37)20-6-10-24(26(12-20)31(39)40)23-9-5-19(27-16-41-15-21(27)14-36)11-25(23)30(38)35-22-7-3-18(4-8-22)28(32)33/h3-12,15-17,36H,13-14H2,1-2H3,(H3,32,33)(H,34,37)(H,35,38)(H,39,40)
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n/an/a 60n/an/an/an/a7.823



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)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (human))
BDBM31497
PNG
(substituted biphenyl derivative, 36ak)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CO
Show InChI InChI=1S/C31H30N4O5S/c1-17(2)13-34-29(37)20-6-10-24(26(12-20)31(39)40)23-9-5-19(27-16-41-15-21(27)14-36)11-25(23)30(38)35-22-7-3-18(4-8-22)28(32)33/h3-12,15-17,36H,13-14H2,1-2H3,(H3,32,33)(H,34,37)(H,35,38)(H,39,40)
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PubMed
n/an/a 6.31E+4n/an/an/an/a7.523



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)

More data for this
Ligand-Target Pair