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Compile Data Set for Download or QSAR

Found 13 hits of ec50 data for polymerid = 2225   
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
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM29241
PNG
(quinolinone, 12)
Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(15-5-2-4-14(22)9-15)10-13-8-18(27)25-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3,(H,25,27)
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n/an/an/an/a 120n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu...


Citation and Details
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50348732
PNG
(CHEMBL1801504)
Show SMILES Fc1ccc2c(Cn3c(nc4nccnc34)C3CCC3)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C19H15F2N5O/c20-13-5-4-12-11(8-14(27)24-16(12)15(13)21)9-26-18(10-2-1-3-10)25-17-19(26)23-7-6-22-17/h4-8,10H,1-3,9H2,(H,24,27)
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n/an/an/an/a 430n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu...


Citation and Details
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50348710
PNG
(CHEMBL1801506)
Show SMILES CC(C)Cc1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Show InChI InChI=1S/C19H17F2N5O/c1-10(2)7-14-24-18-19(23-6-5-22-18)26(14)9-11-8-15(27)25-17-12(11)3-4-13(20)16(17)21/h3-6,8,10H,7,9H2,1-2H3,(H,25,27)
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n/an/an/an/a 440n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu...


Citation and Details
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50348733
PNG
(CHEMBL1801060)
Show SMILES Fc1cccc2c(Cn3c(nc4nccnc34)C3CCC3)cc(=O)[nH]c12
Show InChI InChI=1S/C19H16FN5O/c20-14-6-2-5-13-12(9-15(26)23-16(13)14)10-25-18(11-3-1-4-11)24-17-19(25)22-8-7-21-17/h2,5-9,11H,1,3-4,10H2,(H,23,26)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu...


Citation and Details
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50348728
PNG
(CHEMBL1801502)
Show SMILES CN(C)c1ccnc2n(Cc3cc(=O)[nH]c4c(F)c(F)ccc34)c(nc12)C1CCC1
Show InChI InChI=1S/C22H21F2N5O/c1-28(2)16-8-9-25-22-20(16)27-21(12-4-3-5-12)29(22)11-13-10-17(30)26-19-14(13)6-7-15(23)18(19)24/h6-10,12H,3-5,11H2,1-2H3,(H,26,30)
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n/an/an/an/a 1.80E+3n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu...


Citation and Details
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50348741
PNG
(CHEMBL1801487)
Show SMILES Fc1ccc2c(Cn3c(nc4ccccc34)C3CCC3)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C21H17F2N3O/c22-15-9-8-14-13(10-18(27)25-20(14)19(15)23)11-26-17-7-2-1-6-16(17)24-21(26)12-4-3-5-12/h1-2,6-10,12H,3-5,11H2,(H,25,27)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu...


Citation and Details
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50348721
PNG
(CHEMBL1801490)
Show SMILES CC(C)Cc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Show InChI InChI=1S/C21H19F2N3O/c1-12(2)9-18-24-16-5-3-4-6-17(16)26(18)11-13-10-19(27)25-21-14(13)7-8-15(22)20(21)23/h3-8,10,12H,9,11H2,1-2H3,(H,25,27)
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n/an/an/an/a 3.10E+3n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu...


Citation and Details
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50348709
PNG
(CHEMBL1801062)
Show SMILES Fc1cccc2c(Cn3c(nc4nccnc34)C3CC(F)(F)C3)cc(=O)[nH]c12
Show InChI InChI=1S/C19H14F3N5O/c20-13-3-1-2-12-10(6-14(28)25-15(12)13)9-27-17(11-7-19(21,22)8-11)26-16-18(27)24-5-4-23-16/h1-6,11H,7-9H2,(H,25,28)
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n/an/an/an/a 3.30E+3n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu...


Citation and Details
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50348738
PNG
(CHEMBL1801482)
Show SMILES CC(C)c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Show InChI InChI=1S/C20H17F2N3O/c1-11(2)20-23-15-5-3-4-6-16(15)25(20)10-12-9-17(26)24-19-13(12)7-8-14(21)18(19)22/h3-9,11H,10H2,1-2H3,(H,24,26)
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n/an/an/an/a 4.40E+3n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu...


Citation and Details
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50077250
PNG
((2S)-2-amino-5-{[(1Z)-(hydroxyamino)(methylthio)me...)
Show SMILES CSC(NO)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O3S/c1-14-7(10-13)9-4-2-3-5(8)6(11)12/h5,13H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
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n/an/an/an/a 6.60E+3n/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
Effective concentration of the compound against NADPH oxidase activity of iNOS


Citation and Details
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50348735
PNG
(CHEMBL1801474)
Show SMILES Cc1ncsc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Show InChI InChI=1S/C21H14F2N4OS/c1-11-20(29-10-24-11)21-25-15-4-2-3-5-16(15)27(21)9-12-8-17(28)26-19-13(12)6-7-14(22)18(19)23/h2-8,10H,9H2,1H3,(H,26,28)
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n/an/an/an/a 1.03E+4n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu...


Citation and Details
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50077251
PNG
((2S)-2-amino-5-{[(1Z)-hydrazino(methylthio)methyle...)
Show SMILES CSC(NCCC[C@H](N)C(O)=O)=NN
Show InChI InChI=1S/C7H16N4O2S/c1-14-7(11-9)10-4-2-3-5(8)6(12)13/h5H,2-4,8-9H2,1H3,(H,10,11)(H,12,13)/t5-/m0/s1
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n/an/an/an/a 1.80E+5n/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
Effective concentration of the compound against NADPH oxidase activity of iNOS


Citation and Details
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50077252
PNG
((2S)-2-amino-5-[(hydrazinocarbonothioyl)amino]pent...)
Show SMILES NNC(=S)NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C6H14N4O2S/c7-4(5(11)12)2-1-3-9-6(13)10-8/h4H,1-3,7-8H2,(H,11,12)(H2,9,10,13)/t4-/m0/s1
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n/an/an/an/a 1.90E+5n/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
Effective concentration of the compound against NADPH oxidase activity of iNOS


Citation and Details
More data for this
Ligand-Target Pair