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Compile Data Set for Download or QSAR

Found 135 hits of ec50 data for polymerid = 3609,50001944,2225,3609   
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


(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 2n/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, inducible


(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 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, inducible


(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 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, inducible


(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 4n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(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 5n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(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 6n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(Homo sapiens (human))
BDBM50356505
PNG
(CHEMBL1911882)
Show SMILES CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
Show InChI InChI=1S/C17H20N6O2S/c1-22(17-20-16(21-26-17)23-8-6-19-11-23)7-2-5-18-10-13-3-4-14-15(9-13)25-12-24-14/h3-4,6,8-9,11,18H,2,5,7,10,12H2,1H3
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n/an/an/an/a 8n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(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 9n/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, inducible


(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 9n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(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 9n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(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 9n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(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 11n/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, inducible


(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 11n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human 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


(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 11n/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, inducible


(Homo sapiens (human))
BDBM50356481
PNG
(CHEMBL1909665)
Show SMILES N#CCN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
Show InChI InChI=1S/C18H19N7O2S/c19-4-8-24(18-22-17(23-28-18)25-9-6-21-12-25)7-1-5-20-11-14-2-3-15-16(10-14)27-13-26-15/h2-3,6,9-10,12,20H,1,5,7-8,11,13H2
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n/an/an/an/a 12n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(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 14n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(Homo sapiens (human))
BDBM50356482
PNG
(CHEMBL1911982)
Show SMILES Cc1cc(CNC(=O)NCCc2ccc3OCOc3c2)nc(n1)-n1ccnc1
Show InChI InChI=1S/C19H20N6O3/c1-13-8-15(24-18(23-13)25-7-6-20-11-25)10-22-19(26)21-5-4-14-2-3-16-17(9-14)28-12-27-16/h2-3,6-9,11H,4-5,10,12H2,1H3,(H2,21,22,26)
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n/an/an/an/a 14n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(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 16n/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, inducible


(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 19n/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, inducible


(Homo sapiens (human))
BDBM50356484
PNG
(CHEMBL1911981)
Show SMILES Cc1cc(CCCCNCc2ccc3OCOc3c2)nc(n1)-n1ccnc1
Show InChI InChI=1S/C20H23N5O2/c1-15-10-17(24-20(23-15)25-9-8-22-13-25)4-2-3-7-21-12-16-5-6-18-19(11-16)27-14-26-18/h5-6,8-11,13,21H,2-4,7,12,14H2,1H3
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n/an/an/an/a 20n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(Homo sapiens (human))
BDBM29274
PNG
(quinolinone, 44)
Show SMILES Cc1ncsc1C(=O)N(Cc1c(F)c(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C21H14ClF2N3O2S/c1-11-19(30-10-25-11)21(29)27(13-5-2-4-12(22)8-13)9-15-14-6-3-7-16(23)18(14)26-20(28)17(15)24/h2-8,10H,9H2,1H3,(H,26,28)
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n/an/an/an/a 26n/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, inducible


(Homo sapiens (human))
BDBM50356485
PNG
(CHEMBL1911894)
Show SMILES CC(NCCN(C)Cc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1
Show InChI InChI=1S/C21H26N6O2/c1-15-10-18(25-21(24-15)27-9-6-22-13-27)16(2)23-7-8-26(3)12-17-4-5-19-20(11-17)29-14-28-19/h4-6,9-11,13,16,23H,7-8,12,14H2,1-3H3
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n/an/an/an/a 29n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(Homo sapiens (human))
BDBM50356486
PNG
(CHEMBL1911985)
Show SMILES Cc1cc(nc(n1)-n1ccnc1)C1CCCN1C(=O)CNCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H24N6O3/c1-15-9-17(26-22(25-15)27-8-6-23-13-27)18-3-2-7-28(18)21(29)12-24-11-16-4-5-19-20(10-16)31-14-30-19/h4-6,8-10,13,18,24H,2-3,7,11-12,14H2,1H3
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n/an/an/an/a 30n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(Homo sapiens (human))
BDBM50356487
PNG
(CHEMBL1911993)
Show SMILES CCOC(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
Show InChI InChI=1S/C20H24N6O4S/c1-2-28-18(27)12-25(20-23-19(24-31-20)26-9-7-22-13-26)8-3-6-21-11-15-4-5-16-17(10-15)30-14-29-16/h4-5,7,9-10,13,21H,2-3,6,8,11-12,14H2,1H3
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n/an/an/an/a 34n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(Homo sapiens (human))
BDBM50356488
PNG
(CHEMBL1911987)
Show SMILES Cc1cc(nc(n1)-n1ccnc1)C1CCCN1CC(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H24N6O3/c1-15-9-17(26-22(25-15)28-8-6-23-13-28)18-3-2-7-27(18)12-21(29)24-11-16-4-5-19-20(10-16)31-14-30-19/h4-6,8-10,13,18H,2-3,7,11-12,14H2,1H3,(H,24,29)
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n/an/an/an/a 36n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(Homo sapiens (human))
BDBM50356489
PNG
(CHEMBL1912003)
Show SMILES Oc1ccc(CN(CCCNCc2ccc3OCOc3c2)c2nc(ns2)-n2ccnc2)cc1
Show InChI InChI=1S/C23H24N6O3S/c30-19-5-2-17(3-6-19)14-28(23-26-22(27-33-23)29-11-9-25-15-29)10-1-8-24-13-18-4-7-20-21(12-18)32-16-31-20/h2-7,9,11-12,15,24,30H,1,8,10,13-14,16H2
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n/an/an/an/a 42n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(Homo sapiens (human))
BDBM50356508
PNG
(CHEMBL1911886)
Show SMILES CN(CCCNCc1ccc2OCCOc2c1)c1nc(ns1)-n1ccnc1
Show InChI InChI=1S/C18H22N6O2S/c1-23(18-21-17(22-27-18)24-8-6-20-13-24)7-2-5-19-12-14-3-4-15-16(11-14)26-10-9-25-15/h3-4,6,8,11,13,19H,2,5,7,9-10,12H2,1H3
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n/an/an/an/a 48n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(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 49n/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, inducible


(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 53n/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, inducible


(Homo sapiens (human))
BDBM29247
PNG
(quinolinone, 18)
Show SMILES Fc1cccc2c(CN(C(=O)c3cncs3)c3cccc(Cl)c3)cc(=O)[nH]c12
Show InChI InChI=1S/C20H13ClFN3O2S/c21-13-3-1-4-14(8-13)25(20(27)17-9-23-11-28-17)10-12-7-18(26)24-19-15(12)5-2-6-16(19)22/h1-9,11H,10H2,(H,24,26)
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n/an/an/an/a 53n/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, inducible


(Homo sapiens (human))
BDBM50356490
PNG
(CHEMBL1911991)
Show SMILES C(CNCc1ccc2OCOc2c1)CN(C1CC1)c1nc(ns1)-n1ccnc1
Show InChI InChI=1S/C19H22N6O2S/c1(6-20-11-14-2-5-16-17(10-14)27-13-26-16)8-25(15-3-4-15)19-22-18(23-28-19)24-9-7-21-12-24/h2,5,7,9-10,12,15,20H,1,3-4,6,8,11,13H2
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n/an/an/an/a 56n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(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 56n/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, inducible


(Homo sapiens (human))
BDBM50356491
PNG
(CHEMBL1911994)
Show SMILES CNC(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
Show InChI InChI=1S/C19H23N7O3S/c1-20-17(27)11-25(19-23-18(24-30-19)26-8-6-22-12-26)7-2-5-21-10-14-3-4-15-16(9-14)29-13-28-15/h3-4,6,8-9,12,21H,2,5,7,10-11,13H2,1H3,(H,20,27)
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n/an/an/an/a 59n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(Homo sapiens (human))
BDBM29243
PNG
(quinolinone, 14)
Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(F)c1
Show InChI InChI=1S/C21H15F2N3O2S/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 62n/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, inducible


(Homo sapiens (human))
BDBM50356492
PNG
(CHEMBL1912002)
Show SMILES Cn1cnc(CN(CCCNCc2ccc3OCOc3c2)c2nc(ns2)-n2ccnc2)c1
Show InChI InChI=1S/C21H24N8O2S/c1-27-11-17(24-14-27)12-28(21-25-20(26-32-21)29-8-6-23-13-29)7-2-5-22-10-16-3-4-18-19(9-16)31-15-30-18/h3-4,6,8-9,11,13-14,22H,2,5,7,10,12,15H2,1H3
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n/an/an/an/a 71n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(Homo sapiens (human))
BDBM50356493
PNG
(CHEMBL1911995)
Show SMILES CN(C)C(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
Show InChI InChI=1S/C20H25N7O3S/c1-25(2)18(28)12-26(20-23-19(24-31-20)27-9-7-22-13-27)8-3-6-21-11-15-4-5-16-17(10-15)30-14-29-16/h4-5,7,9-10,13,21H,3,6,8,11-12,14H2,1-2H3
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n/an/an/an/a 80n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(Homo sapiens (human))
BDBM50356494
PNG
(CHEMBL1911992)
Show SMILES NC(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
Show InChI InChI=1S/C18H21N7O3S/c19-16(26)10-24(18-22-17(23-29-18)25-7-5-21-11-25)6-1-4-20-9-13-2-3-14-15(8-13)28-12-27-14/h2-3,5,7-8,11,20H,1,4,6,9-10,12H2,(H2,19,26)
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n/an/an/an/a 81n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(Homo sapiens (human))
BDBM29264
PNG
(isoquinoline N-oxide, 34)
Show SMILES Cc1ncsc1C(=O)N(Cc1c[n+]([O-])cc2c(F)cccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C21H15ClFN3O2S/c1-13-20(29-12-24-13)21(27)26(16-5-2-4-15(22)8-16)10-14-9-25(28)11-18-17(14)6-3-7-19(18)23/h2-9,11-12H,10H2,1H3
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n/an/an/an/a 87n/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, inducible


(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 88n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human 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


(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 89n/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, inducible


(Homo sapiens (human))
BDBM50356495
PNG
(CHEMBL1912004)
Show SMILES C(CNCc1ccc2OCOc2c1)CN(Cc1ccc2occc2c1)c1nc(ns1)-n1ccnc1
Show InChI InChI=1S/C25H24N6O3S/c1(7-26-14-18-2-5-22-23(13-18)34-17-33-22)9-30(15-19-3-4-21-20(12-19)6-11-32-21)25-28-24(29-35-25)31-10-8-27-16-31/h2-6,8,10-13,16,26H,1,7,9,14-15,17H2
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n/an/an/an/a 90n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(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 91n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human 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


(Homo sapiens (human))
BDBM29245
PNG
(quinolinone, 16)
Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(C)c1
Show InChI InChI=1S/C22H18FN3O2S/c1-13-5-3-6-16(9-13)26(22(28)21-14(2)24-12-29-21)11-15-10-19(27)25-20-17(15)7-4-8-18(20)23/h3-10,12H,11H2,1-2H3,(H,25,27)
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n/an/an/an/a 100n/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, inducible


(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 120n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human 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))
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


(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 150n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human 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


(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 160n/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, inducible


(Homo sapiens (human))
BDBM50356496
PNG
(CHEMBL1912005)
Show SMILES CN(C)c1ccc(CN(CCCNCc2ccc3OCOc3c2)c2nc(ns2)-n2ccnc2)cc1
Show InChI InChI=1S/C25H29N7O2S/c1-30(2)21-7-4-19(5-8-21)16-31(25-28-24(29-35-25)32-13-11-27-17-32)12-3-10-26-15-20-6-9-22-23(14-20)34-18-33-22/h4-9,11,13-14,17,26H,3,10,12,15-16,18H2,1-2H3
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n/an/an/an/a 163n/an/an/an/a



Kalypsys Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay


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


(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 170n/an/an/an/a



Kalypsys, Inc

Curated by ChEMBL


Assay Description
Inhibition of human 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


(Homo sapiens (human))
BDBM29265
PNG
(quinolinone, 35)
Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C21H16ClN3O2S/c1-13-20(28-12-23-13)21(27)25(16-6-4-5-15(22)10-16)11-14-9-19(26)24-18-8-3-2-7-17(14)18/h2-10,12H,11H2,1H3,(H,24,26)
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n/an/an/an/a 170n/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
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