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Compile Data Set for Download or QSAR

Found 9 hits of non-affinity data for polymerid = 8446   
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
Factor XIIa


(Homo sapiens (Human))
BDBM23534
PNG
(3-Carboxamide-coumarin deriv., 19 | 6-methyl-2-oxo...)
Show SMILES CC(C)NC(=O)c1cc2cc(C)ccc2oc1=O
Show InChI InChI=1S/C14H15NO3/c1-8(2)15-13(16)11-7-10-6-9(3)4-5-12(10)18-14(11)17/h4-8H,1-3H3,(H,15,16)
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n/an/an/an/an/an/an/a7.922



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...


J Med Chem 51: 3077-80 (2008)

More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM23535
PNG
(3-Carboxamide-coumarin deriv., 21 | N-cyclohexyl-6...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H19NO3/c1-11-7-8-15-12(9-11)10-14(17(20)21-15)16(19)18-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,18,19)
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n/an/an/an/an/an/an/a7.922



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...


J Med Chem 51: 3077-80 (2008)

More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM23550
PNG
(3-Carboxamide-coumarin deriv., 40 | 8-methoxy-2-ox...)
Show SMILES COc1cccc2cc(C(=O)Nc3ccccc3)c(=O)oc12
Show InChI InChI=1S/C17H13NO4/c1-21-14-9-5-6-11-10-13(17(20)22-15(11)14)16(19)18-12-7-3-2-4-8-12/h2-10H,1H3,(H,18,19)
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n/an/an/an/an/an/an/a7.922



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...


J Med Chem 51: 3077-80 (2008)

More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM23551
PNG
(3-Carboxamide-coumarin deriv., 48 | 5-oxo-N-phenyl...)
Show SMILES O=C(Nc1ccccc1)c1cc2c(ccc3ccccc23)oc1=O
Show InChI InChI=1S/C20H13NO3/c22-19(21-14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-18(16)24-20(17)23/h1-12H,(H,21,22)
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n/an/an/an/an/an/an/a7.922



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...


J Med Chem 51: 3077-80 (2008)

More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM23562
PNG
(3-Carboxylate-coumarin deriv., 2 | phenyl 6-methyl...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C17H12O4/c1-11-7-8-15-12(9-11)10-14(17(19)21-15)16(18)20-13-5-3-2-4-6-13/h2-10H,1H3
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n/an/an/an/an/an/an/a7.922



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...


J Med Chem 51: 3077-80 (2008)

More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM23553
PNG
(3-Carboxamide-coumarin deriv., 38 | 7-methoxy-2-ox...)
Show SMILES COc1ccc2cc(C(=O)Nc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C17H13NO4/c1-21-13-8-7-11-9-14(17(20)22-15(11)10-13)16(19)18-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)
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n/an/an/an/an/an/an/a7.922



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...


J Med Chem 51: 3077-80 (2008)

More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM23554
PNG
(3-Carboxamide-coumarin deriv., 39 | 7-(diethylamin...)
Show SMILES CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C20H20N2O3/c1-3-22(4-2)16-11-10-14-12-17(20(24)25-18(14)13-16)19(23)21-15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3,(H,21,23)
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n/an/an/an/an/an/an/a7.922



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...


J Med Chem 51: 3077-80 (2008)

More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM23561
PNG
(3-Carboxylate-coumarin deriv., 1 | phenyl 2-oxo-2H...)
Show SMILES O=C(Oc1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C16H10O4/c17-15(19-12-7-2-1-3-8-12)13-10-11-6-4-5-9-14(11)20-16(13)18/h1-10H
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n/an/an/an/an/an/an/a7.922



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...


J Med Chem 51: 3077-80 (2008)

More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM23552
PNG
(3-Carboxamide-coumarin deriv., 37 | 7-hydroxy-2-ox...)
Show SMILES Oc1ccc2cc(C(=O)Nc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C16H11NO4/c18-12-7-6-10-8-13(16(20)21-14(10)9-12)15(19)17-11-4-2-1-3-5-11/h1-9,18H,(H,17,19)
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PubMed
n/an/an/an/an/an/an/a7.922



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...


J Med Chem 51: 3077-80 (2008)

More data for this
Ligand-Target Pair