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Compile Data Set for Download or QSAR

Found 22 hits of non-affinity data for polymerid = 1341   
Target
(Institution)
LigandTarget
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))
BDBM23541
PNG
(3-Carboxamide-coumarin deriv., 26 | 6-methyl-N-(na...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C22H17NO3/c1-14-9-10-20-17(11-14)12-19(22(25)26-20)21(24)23-13-16-7-4-6-15-5-2-3-8-18(15)16/h2-12H,13H2,1H3,(H,23,24)
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PubMed
n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23549
PNG
(3-Carboxamide-coumarin deriv., 47 | 6-bromo-8-meth...)
Show SMILES COc1cc(Br)cc2cc(C(=O)Nc3ccccc3)c(=O)oc12
Show InChI InChI=1S/C17H12BrNO4/c1-22-14-9-11(18)7-10-8-13(17(21)23-15(10)14)16(20)19-12-5-3-2-4-6-12/h2-9H,1H3,(H,19,20)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23543
PNG
(2-oxo-N-phenyl-2H-chromene-3-carboxamide | 3-Carbo...)
Show SMILES O=C(Nc1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C16H11NO3/c18-15(17-12-7-2-1-3-8-12)13-10-11-6-4-5-9-14(11)20-16(13)19/h1-10H,(H,17,18)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23545
PNG
(3-Carboxamide-coumarin deriv., 35 | 6-nitro-2-oxo-...)
Show SMILES [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H10N2O5/c19-15(17-11-4-2-1-3-5-11)13-9-10-8-12(18(21)22)6-7-14(10)23-16(13)20/h1-9H,(H,17,19)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23546
PNG
(3-Carboxamide-coumarin deriv., 36 | 6-bromo-2-oxo-...)
Show SMILES Brc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H10BrNO3/c17-11-6-7-14-10(8-11)9-13(16(20)21-14)15(19)18-12-4-2-1-3-5-12/h1-9H,(H,18,19)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23564
PNG
(3-Carboxamide-coumarin deriv., 34 | N-(3,5-dimethy...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cc(C)cc(C)c1
Show InChI InChI=1S/C19H17NO3/c1-11-4-5-17-14(7-11)10-16(19(22)23-17)18(21)20-15-8-12(2)6-13(3)9-15/h4-10H,1-3H3,(H,20,21)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23547
PNG
(3-Carboxamide-coumarin deriv., 41 | 6,8-dichloro-2...)
Show SMILES Clc1cc(Cl)c2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H9Cl2NO3/c17-10-6-9-7-12(16(21)22-14(9)13(18)8-10)15(20)19-11-4-2-1-3-5-11/h1-8H,(H,19,20)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23565
PNG
(3-Carboxamide-coumarin deriv., 42 | 6,8-dichloro-N...)
Show SMILES Cc1cccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c1
Show InChI InChI=1S/C17H11Cl2NO3/c1-9-3-2-4-12(5-9)20-16(21)13-7-10-6-11(18)8-14(19)15(10)23-17(13)22/h2-8H,1H3,(H,20,21)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23548
PNG
(3-Carboxamide-coumarin deriv., 44 | 8-bromo-6-chlo...)
Show SMILES Clc1cc(Br)c2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H9BrClNO3/c17-13-8-10(18)6-9-7-12(16(21)22-14(9)13)15(20)19-11-4-2-1-3-5-11/h1-8H,(H,19,20)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23567
PNG
(3-Carboxamide-coumarin deriv., 45 | 8-bromo-6-chlo...)
Show SMILES Cc1cccc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)c1
Show InChI InChI=1S/C17H11BrClNO3/c1-9-3-2-4-12(5-9)20-16(21)13-7-10-6-11(19)8-14(18)15(10)23-17(13)22/h2-8H,1H3,(H,20,21)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23558
PNG
(3-Carboxamide-coumarin deriv., 28 | 6-methyl-N-(2-...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C18H15NO3/c1-11-7-8-16-13(9-11)10-14(18(21)22-16)17(20)19-15-6-4-3-5-12(15)2/h3-10H,1-2H3,(H,19,20)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23536
PNG
(3-Carboxamide-coumarin deriv., 22 | N-cyclododecyl...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NC1CCCCCCCCCCC1
Show InChI InChI=1S/C23H31NO3/c1-17-13-14-21-18(15-17)16-20(23(26)27-21)22(25)24-19-11-9-7-5-3-2-4-6-8-10-12-19/h13-16,19H,2-12H2,1H3,(H,24,25)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23537
PNG
(3-Carboxamide-coumarin deriv., 23 | N-(adamantan-1...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H23NO3/c1-12-2-3-18-16(4-12)8-17(20(24)25-18)19(23)22-21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,13-15H,5-7,9-11H2,1H3,(H,22,23)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23538
PNG
(3-Carboxamide-coumarin deriv., 20 | 6-methyl-2-oxo...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H13NO3/c1-11-7-8-15-12(9-11)10-14(17(20)21-15)16(19)18-13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23540
PNG
(3-Carboxamide-coumarin deriv., 25 | 6-methyl-2-oxo...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C19H17NO3/c1-13-7-8-17-15(11-13)12-16(19(22)23-17)18(21)20-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,20,21)
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PubMed
n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23555
PNG
(3-Carboxamide-coumarin deriv., 31 | N-(2-chlorophe...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C17H12ClNO3/c1-10-6-7-15-11(8-10)9-12(17(21)22-15)16(20)19-14-5-3-2-4-13(14)18/h2-9H,1H3,(H,19,20)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23539
PNG
(3-Carboxamide-coumarin deriv., 24 | N-benzyl-6-met...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C18H15NO3/c1-12-7-8-16-14(9-12)10-15(18(21)22-16)17(20)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23556
PNG
(3-Carboxamide-coumarin deriv., 32 | N-(3-chlorophe...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H12ClNO3/c1-10-5-6-15-11(7-10)8-14(17(21)22-15)16(20)19-13-4-2-3-12(18)9-13/h2-9H,1H3,(H,19,20)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23557
PNG
(3-Carboxamide-coumarin deriv., 33 | N-(4-chlorophe...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClNO3/c1-10-2-7-15-11(8-10)9-14(17(21)22-15)16(20)19-13-5-3-12(18)4-6-13/h2-9H,1H3,(H,19,20)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23559
PNG
(3-Carboxamide-coumarin deriv., 29 | 6-methyl-N-(3-...)
Show SMILES Cc1cccc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1
Show InChI InChI=1S/C18H15NO3/c1-11-4-3-5-14(9-11)19-17(20)15-10-13-8-12(2)6-7-16(13)22-18(15)21/h3-10H,1-2H3,(H,19,20)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23560
PNG
(3-Carboxamide-coumarin deriv., 30 | 6-methyl-N-(4-...)
Show SMILES Cc1ccc(NC(=O)c2cc3cc(C)ccc3oc2=O)cc1
Show InChI InChI=1S/C18H15NO3/c1-11-3-6-14(7-4-11)19-17(20)15-10-13-9-12(2)5-8-16(13)22-18(15)21/h3-10H,1-2H3,(H,19,20)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM23542
PNG
(3-Carboxamide-coumarin deriv., 27 | 6-methyl-2-oxo...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C20H14N2O3/c1-12-6-7-18-14(8-12)10-16(20(24)25-18)19(23)22-15-9-13-4-2-3-5-17(13)21-11-15/h2-11H,1H3,(H,22,23)
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n/an/an/an/an/an/an/a7.522



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...


Citation and Details
More data for this
Ligand-Target Pair