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Compile Data Set for Download or QSAR

Found 110 hits of ec50 data for polymerid = 3611,2223,3611   
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, brain


(Homo sapiens (human))
BDBM29272
PNG
(quinolinone, 42)
Show SMILES Cn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C21H15ClF2N4O2/c1-27-11-25-9-17(27)21(30)28(14-4-2-3-13(22)8-14)10-12-7-18(29)26-20-15(12)5-6-16(23)19(20)24/h2-9,11H,10H2,1H3,(H,26,29)
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n/an/an/an/a 70n/an/an/an/a



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM29273
PNG
(quinolinone, 43)
Show SMILES Cc1noc(C)c1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C22H16ClF2N3O3/c1-11-19(12(2)31-27-11)22(30)28(15-5-3-4-14(23)9-15)10-13-8-18(29)26-21-16(13)6-7-17(24)20(21)25/h3-9H,10H2,1-2H3,(H,26,29)
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n/an/an/an/a 97n/an/an/an/a



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM29270
PNG
(quinolinone, 40)
Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C21H14ClF2N3O2S/c1-11-20(30-10-25-11)21(29)27(14-4-2-3-13(22)8-14)9-12-7-17(28)26-19-15(12)5-6-16(23)18(19)24/h2-8,10H,9H2,1H3,(H,26,28)
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n/an/an/an/a 120n/an/an/an/a



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM29271
PNG
(quinolinone, 41)
Show SMILES Cc1ccncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C23H16ClF2N3O2/c1-13-7-8-27-11-18(13)23(31)29(16-4-2-3-15(24)10-16)12-14-9-20(30)28-22-17(14)5-6-19(25)21(22)26/h2-11H,12H2,1H3,(H,28,30)
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n/an/an/an/a 290n/an/an/an/a



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
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 300n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
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 300n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50356477
PNG
(CHEMBL1911999)
Show SMILES C(CNCc1ccc2OCOc2c1)CN(Cc1nccs1)c1nc(ns1)-n1ccnc1
Show InChI InChI=1S/C20H21N7O2S2/c1(4-21-11-15-2-3-16-17(10-15)29-14-28-16)7-26(12-18-23-6-9-30-18)20-24-19(25-31-20)27-8-5-22-13-27/h2-3,5-6,8-10,13,21H,1,4,7,11-12,14H2
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n/an/an/an/a 310n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
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 320n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM29252
PNG
(quinolinone, 23)
Show SMILES Cn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C21H16ClFN4O2/c1-26-12-24-10-18(26)21(29)27(15-5-2-4-14(22)9-15)11-13-8-19(28)25-20-16(13)6-3-7-17(20)23/h2-10,12H,11H2,1H3,(H,25,28)
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n/an/an/an/a 360n/an/an/an/a



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50356476
PNG
(CHEMBL1911998)
Show SMILES C(CNCc1ccc2OCOc2c1)CN(Cc1cccnc1)c1nc(ns1)-n1ccnc1
Show InChI InChI=1S/C22H23N7O2S/c1-3-18(13-23-6-1)14-28(22-26-21(27-32-22)29-10-8-25-15-29)9-2-7-24-12-17-4-5-19-20(11-17)31-16-30-19/h1,3-6,8,10-11,13,15,24H,2,7,9,12,14,16H2
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n/an/an/an/a 480n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM29253
PNG
(quinolinone, 24)
Show SMILES Cc1noc(C)c1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C22H17ClFN3O3/c1-12-20(13(2)30-26-12)22(29)27(16-6-3-5-15(23)10-16)11-14-9-19(28)25-21-17(14)7-4-8-18(21)24/h3-10H,11H2,1-2H3,(H,25,28)
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n/an/an/an/a 500n/an/an/an/a



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348744
PNG
(CHEMBL1801495)
Show SMILES Fc1ccc2c(Cn3c(nc4ncccc34)C3CCC3)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C20H16F2N4O/c21-14-7-6-13-12(9-16(27)24-18(13)17(14)22)10-26-15-5-2-8-23-19(15)25-20(26)11-3-1-4-11/h2,5-9,11H,1,3-4,10H2,(H,24,27)
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n/an/an/an/a 520n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348746
PNG
(CHEMBL1801058)
Show SMILES CC(C)c1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Show InChI InChI=1S/C18H15F2N5O/c1-9(2)17-24-16-18(22-6-5-21-16)25(17)8-10-7-13(26)23-15-11(10)3-4-12(19)14(15)20/h3-7,9H,8H2,1-2H3,(H,23,26)
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n/an/an/an/a 610n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348743
PNG
(CHEMBL1801493)
Show SMILES Fc1ccc2c(Cn3c(CC4CCC4)nc4ccccc34)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C22H19F2N3O/c23-16-9-8-15-14(11-20(28)26-22(15)21(16)24)12-27-18-7-2-1-6-17(18)25-19(27)10-13-4-3-5-13/h1-2,6-9,11,13H,3-5,10,12H2,(H,26,28)
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n/an/an/an/a 650n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348722
PNG
(CHEMBL1801491)
Show SMILES CC(C)CCc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Show InChI InChI=1S/C22H21F2N3O/c1-13(2)7-10-19-25-17-5-3-4-6-18(17)27(19)12-14-11-20(28)26-22-15(14)8-9-16(23)21(22)24/h3-6,8-9,11,13H,7,10,12H2,1-2H3,(H,26,28)
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n/an/an/an/a 650n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
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 650n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348739
PNG
(CHEMBL1801485)
Show SMILES CCCc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Show InChI InChI=1S/C20H17F2N3O/c1-2-5-17-23-15-6-3-4-7-16(15)25(17)11-12-10-18(26)24-20-13(12)8-9-14(21)19(20)22/h3-4,6-10H,2,5,11H2,1H3,(H,24,26)
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n/an/an/an/a 690n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50356480
PNG
(CHEMBL1912000)
Show SMILES C(CNCc1ccc2OCOc2c1)CN(Cc1cccs1)c1nc(ns1)-n1ccnc1
Show InChI InChI=1S/C21H22N6O2S2/c1-3-17(30-10-1)13-26(21-24-20(25-31-21)27-9-7-23-14-27)8-2-6-22-12-16-4-5-18-19(11-16)29-15-28-18/h1,3-5,7,9-11,14,22H,2,6,8,12-13,15H2
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n/an/an/an/a 690n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
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 690n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348723
PNG
(CHEMBL1801497)
Show SMILES Fc1ccc2c(Cn3c(nc4ccncc34)C3CCC3)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C20H16F2N4O/c21-14-5-4-13-12(8-17(27)25-19(13)18(14)22)10-26-16-9-23-7-6-15(16)24-20(26)11-2-1-3-11/h4-9,11H,1-3,10H2,(H,25,27)
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n/an/an/an/a 730n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348726
PNG
(CHEMBL1801500)
Show SMILES Fc1ccc2c(Cn3c(nc4c(Cl)ccnc34)C3CCC3)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C20H15ClF2N4O/c21-13-6-7-24-20-18(13)26-19(10-2-1-3-10)27(20)9-11-8-15(28)25-17-12(11)4-5-14(22)16(17)23/h4-8,10H,1-3,9H2,(H,25,28)
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n/an/an/an/a 760n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348719
PNG
(CHEMBL1801488)
Show SMILES Fc1ccc2c(Cn3c(nc4ccccc34)C3CCCC3)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C22H19F2N3O/c23-16-10-9-15-14(11-19(28)26-21(15)20(16)24)12-27-18-8-4-3-7-17(18)25-22(27)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6,12H2,(H,26,28)
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n/an/an/an/a 770n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348742
PNG
(CHEMBL1801492)
Show SMILES Fc1ccc2c(Cn3c(CC4CC4)nc4ccccc34)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C21H17F2N3O/c22-15-8-7-14-13(10-19(27)25-21(14)20(15)23)11-26-17-4-2-1-3-16(17)24-18(26)9-12-5-6-12/h1-4,7-8,10,12H,5-6,9,11H2,(H,25,27)
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n/an/an/an/a 950n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348737
PNG
(CHEMBL1801481)
Show SMILES Cc1cnccc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Show InChI InChI=1S/C23H16F2N4O/c1-13-11-26-9-8-15(13)23-27-18-4-2-3-5-19(18)29(23)12-14-10-20(30)28-22-16(14)6-7-17(24)21(22)25/h2-11H,12H2,1H3,(H,28,30)
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n/an/an/an/a 990n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
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 1.00E+3n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348730
PNG
(CHEMBL1801505)
Show SMILES Fc1ccc2c(Cn3c(nc4nccnc34)C3CCCC3)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C20H17F2N5O/c21-14-6-5-13-12(9-15(28)25-17(13)16(14)22)10-27-19(11-3-1-2-4-11)26-18-20(27)24-8-7-23-18/h5-9,11H,1-4,10H2,(H,25,28)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348747
PNG
(CHEMBL1801059)
Show SMILES Fc1ccc2c(Cn3c(nc4nccnc34)C3CC(F)(F)C3)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C19H13F4N5O/c20-12-2-1-11-9(5-13(29)26-15(11)14(12)21)8-28-17(10-6-19(22,23)7-10)27-16-18(28)25-4-3-24-16/h1-5,10H,6-8H2,(H,26,29)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348727
PNG
(CHEMBL1801501)
Show SMILES COc1ccnc2n(Cc3cc(=O)[nH]c4c(F)c(F)ccc34)c(nc12)C1CCC1
Show InChI InChI=1S/C21H18F2N4O2/c1-29-15-7-8-24-21-19(15)26-20(11-3-2-4-11)27(21)10-12-9-16(28)25-18-13(12)5-6-14(22)17(18)23/h5-9,11H,2-4,10H2,1H3,(H,25,28)
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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 human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348724
PNG
(CHEMBL1801498)
Show SMILES Fc1ccc2c(Cn3c(nc4cccnc34)C3CCC3)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C20H16F2N4O/c21-14-7-6-13-12(9-16(27)25-18(13)17(14)22)10-26-19(11-3-1-4-11)24-15-5-2-8-23-20(15)26/h2,5-9,11H,1,3-4,10H2,(H,25,27)
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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 human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348740
PNG
(CHEMBL1801486)
Show SMILES Fc1ccc2c(Cn3c(nc4ccccc34)C3CC3)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C20H15F2N3O/c21-14-8-7-13-12(9-17(26)24-19(13)18(14)22)10-25-16-4-2-1-3-15(16)23-20(25)11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,24,26)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
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 1.50E+3n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348725
PNG
(CHEMBL1801499)
Show SMILES Cc1ccnc2n(Cc3cc(=O)[nH]c4c(F)c(F)ccc34)c(nc12)C1CCC1
Show InChI InChI=1S/C21H18F2N4O/c1-11-7-8-24-21-18(11)26-20(12-3-2-4-12)27(21)10-13-9-16(28)25-19-14(13)5-6-15(22)17(19)23/h5-9,12H,2-4,10H2,1H3,(H,25,28)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348729
PNG
(CHEMBL1801503)
Show SMILES Fc1ccc2c(Cn3c(nc4c(ccnc34)C(F)(F)F)C3CCC3)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C21H15F5N4O/c22-14-5-4-12-11(8-15(31)28-17(12)16(14)23)9-30-19(10-2-1-3-10)29-18-13(21(24,25)26)6-7-27-20(18)30/h4-8,10H,1-3,9H2,(H,28,31)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM29249
PNG
(quinolinone, 20)
Show SMILES Cc1cnccc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C23H17ClFN3O2/c1-14-12-26-9-8-18(14)23(30)28(17-5-2-4-16(24)11-17)13-15-10-21(29)27-22-19(15)6-3-7-20(22)25/h2-12H,13H2,1H3,(H,27,29)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50356483
PNG
(CHEMBL1912001)
Show SMILES C(CNCc1ccc2OCOc2c1)CN(Cc1ccco1)c1nc(ns1)-n1ccnc1
Show InChI InChI=1S/C21H22N6O3S/c1-3-17(28-10-1)13-26(21-24-20(25-31-21)27-9-7-23-14-27)8-2-6-22-12-16-4-5-18-19(11-16)30-15-29-18/h1,3-5,7,9-11,14,22H,2,6,8,12-13,15H2
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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 human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM29250
PNG
(quinolinone, 21)
Show SMILES Cc1ccncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C23H17ClFN3O2/c1-14-8-9-26-12-19(14)23(30)28(17-5-2-4-16(24)11-17)13-15-10-21(29)27-22-18(15)6-3-7-20(22)25/h2-12H,13H2,1H3,(H,27,29)
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n/an/an/an/a 2.20E+3n/an/an/an/a



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50356479
PNG
(CHEMBL1911990)
Show SMILES CCCN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
Show InChI InChI=1S/C19H24N6O2S/c1-2-8-24(19-22-18(23-28-19)25-10-7-21-13-25)9-3-6-20-12-15-4-5-16-17(11-15)27-14-26-16/h4-5,7,10-11,13,20H,2-3,6,8-9,12,14H2,1H3
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n/an/an/an/a 2.30E+3n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
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 2.30E+3n/an/an/an/a



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50356478
PNG
(CHEMBL1911986)
Show SMILES Cc1cc(nc(n1)-n1ccnc1)C1CCCN1C(=O)NCCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H24N6O3/c1-15-11-17(26-21(25-15)27-10-8-23-13-27)18-3-2-9-28(18)22(29)24-7-6-16-4-5-19-20(12-16)31-14-30-19/h4-5,8,10-13,18H,2-3,6-7,9,14H2,1H3,(H,24,29)
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n/an/an/an/a 2.70E+3n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM29244
PNG
(quinolinone, 15)
Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(c1)C#N
Show InChI InChI=1S/C22H15FN4O2S/c1-13-21(30-12-25-13)22(29)27(16-5-2-4-14(8-16)10-24)11-15-9-19(28)26-20-17(15)6-3-7-18(20)23/h2-9,12H,11H2,1H3,(H,26,28)
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n/an/an/an/a 2.70E+3n/an/an/an/a



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM29255
PNG
(quinolinone, 26)
Show SMILES CC(C)C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C20H18ClFN2O2/c1-12(2)20(26)24(15-6-3-5-14(21)10-15)11-13-9-18(25)23-19-16(13)7-4-8-17(19)22/h3-10,12H,11H2,1-2H3,(H,23,25)
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n/an/an/an/a 2.90E+3n/an/an/an/a



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348736
PNG
(CHEMBL1801480)
Show SMILES Fc1ccc2c(Cn3c(nc4ccccc34)-c3ccncc3)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C22H14F2N4O/c23-16-6-5-15-14(11-19(29)27-21(15)20(16)24)12-28-18-4-2-1-3-17(18)26-22(28)13-7-9-25-10-8-13/h1-11H,12H2,(H,27,29)
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n/an/an/an/a 2.90E+3n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
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 3.00E+3n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM29266
PNG
(isoquinoline N-oxide, 47)
Show SMILES Cc1ncsc1C(=O)N(Cc1c[n+]([O-])cc2c(F)c(F)ccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C21H14ClF2N3O2S/c1-12-20(30-11-25-12)21(28)27(15-4-2-3-14(22)7-15)9-13-8-26(29)10-17-16(13)5-6-18(23)19(17)24/h2-8,10-11H,9H2,1H3
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n/an/an/an/a 3.20E+3n/an/an/an/a



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM29267
PNG
(quinolinone, 37)
Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2cc(F)ccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(16-4-2-3-14(22)8-16)10-13-7-19(27)25-18-9-15(23)5-6-17(13)18/h2-9,11H,10H2,1H3,(H,25,27)
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n/an/an/an/a 3.40E+3n/an/an/an/a



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50356475
PNG
(CHEMBL1911984)
Show SMILES CN(CCN1CCCC1c1cc(C)nc(n1)-n1ccnc1)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C23H28N6O2/c1-17-12-19(26-23(25-17)29-9-7-24-15-29)20-4-3-8-28(20)11-10-27(2)14-18-5-6-21-22(13-18)31-16-30-21/h5-7,9,12-13,15,20H,3-4,8,10-11,14,16H2,1-2H3
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n/an/an/an/a 3.90E+3n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM29251
PNG
(quinolinone, 22)
Show SMILES Cc1cccnc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C23H17ClFN3O2/c1-14-5-4-10-26-21(14)23(30)28(17-7-2-6-16(24)12-17)13-15-11-20(29)27-22-18(15)8-3-9-19(22)25/h2-12H,13H2,1H3,(H,27,29)
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n/an/an/an/a 4.10E+3n/an/an/an/a



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348734
PNG
(CHEMBL1801473)
Show SMILES Cc1ncsc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)cccc12
Show InChI InChI=1S/C21H15FN4OS/c1-12-20(28-11-23-12)21-24-16-7-2-3-8-17(16)26(21)10-13-9-18(27)25-19-14(13)5-4-6-15(19)22/h2-9,11H,10H2,1H3,(H,25,27)
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n/an/an/an/a 4.30E+3n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
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 4.60E+3n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50348720
PNG
(CHEMBL1801489)
Show SMILES Fc1ccc2c(Cn3c(nc4ccccc34)C3CCCCC3)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C23H21F2N3O/c24-17-11-10-16-15(12-20(29)27-22(16)21(17)25)13-28-19-9-5-4-8-18(19)26-23(28)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2,(H,27,29)
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n/an/an/an/a 5.00E+3n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...


Citation and Details
More data for this
Ligand-Target Pair
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