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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50034130   
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
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of aromatase after 10 mins preincubation by plate reader relative to control


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50357549
PNG
(CHEMBL1915154)
Show SMILES COC(=O)[C@H]1Cc2c(CN1CC(C)C)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C17H22N2O2/c1-11(2)9-19-10-15-13(8-16(19)17(20)21-3)12-6-4-5-7-14(12)18-15/h4-7,11,16,18H,8-10H2,1-3H3/t16-/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50357547
PNG
(CHEMBL1915403)
Show SMILES OC(=O)[C@@H]1Cc2c(CN1Cc1ccc(O)cc1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C19H18N2O3/c22-13-7-5-12(6-8-13)10-21-11-17-15(9-18(21)19(23)24)14-3-1-2-4-16(14)20-17/h1-8,18,20,22H,9-11H2,(H,23,24)/t18-/m0/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of aromatase after 10 mins preincubation by plate reader relative to control


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50357555
PNG
(CHEMBL1915172)
Show SMILES COC(=O)[C@H]1Cc2c(CN1C(=O)NCCc1ccccc1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C22H23N3O3/c1-28-21(26)20-13-17-16-9-5-6-10-18(16)24-19(17)14-25(20)22(27)23-12-11-15-7-3-2-4-8-15/h2-10,20,24H,11-14H2,1H3,(H,23,27)/t20-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50357557
PNG
(CHEMBL1915174)
Show SMILES COC(=O)[C@H]1Cc2c(CN1C(=O)NC13CC4CC(CC(C4)C1)C3)[nH]c1ccccc21 |r,TLB:12:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Show InChI InChI=1S/C24H29N3O3/c1-30-22(28)21-9-18-17-4-2-3-5-19(17)25-20(18)13-27(21)23(29)26-24-10-14-6-15(11-24)8-16(7-14)12-24/h2-5,14-16,21,25H,6-13H2,1H3,(H,26,29)/t14?,15?,16?,21-,24?/m1/s1
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n/an/a 1.17E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50357554
PNG
(CHEMBL1915170)
Show SMILES COC(=O)[C@@H]1Cc2c(CN1C(=O)NC13CC4CC(CC(C4)C1)C3)[nH]c1ccccc21 |r,TLB:12:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Show InChI InChI=1S/C24H29N3O3/c1-30-22(28)21-9-18-17-4-2-3-5-19(17)25-20(18)13-27(21)23(29)26-24-10-14-6-15(11-24)8-16(7-14)12-24/h2-5,14-16,21,25H,6-13H2,1H3,(H,26,29)/t14?,15?,16?,21-,24?/m0/s1
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n/an/a 1.34E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 2.21E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50357541
PNG
(CHEMBL1915156)
Show SMILES COC(=O)[C@@H]1Cc2c(CN1S(=O)(=O)c1ccc(C)cc1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C20H20N2O4S/c1-13-7-9-14(10-8-13)27(24,25)22-12-18-16(11-19(22)20(23)26-2)15-5-3-4-6-17(15)21-18/h3-10,19,21H,11-12H2,1-2H3/t19-/m0/s1
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n/an/a 2.26E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50357550
PNG
(CHEMBL1915155)
Show SMILES COC(=O)[C@@H]1Cc2c(CN1S(=O)(=O)c1ccc(Br)cc1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C19H17BrN2O4S/c1-26-19(23)18-10-15-14-4-2-3-5-16(14)21-17(15)11-22(18)27(24,25)13-8-6-12(20)7-9-13/h2-9,18,21H,10-11H2,1H3/t18-/m0/s1
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n/an/a 2.31E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50357548
PNG
(CHEMBL1915153)
Show SMILES COC(=O)[C@H]1Cc2c(CN1C(=O)OCC=C)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C17H18N2O4/c1-3-8-23-17(21)19-10-14-12(9-15(19)16(20)22-2)11-6-4-5-7-13(11)18-14/h3-7,15,18H,1,8-10H2,2H3/t15-/m1/s1
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n/an/a 2.77E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50357561
PNG
(CHEMBL1915400)
Show SMILES COC(=O)[C@H]1Cc2c(CN1Cc1ccc(OCc3ccccc3)cc1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C27H26N2O3/c1-31-27(30)26-15-23-22-9-5-6-10-24(22)28-25(23)17-29(26)16-19-11-13-21(14-12-19)32-18-20-7-3-2-4-8-20/h2-14,26,28H,15-18H2,1H3/t26-/m1/s1
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n/an/a 2.94E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50357551
PNG
(CHEMBL1915160)
Show SMILES COC(=O)[C@@H]1Cc2c(CN1Cc1ccccc1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C20H20N2O2/c1-24-20(23)19-11-16-15-9-5-6-10-17(15)21-18(16)13-22(19)12-14-7-3-2-4-8-14/h2-10,19,21H,11-13H2,1H3/t19-/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50357552
PNG
(CHEMBL1915163)
Show SMILES COC(=O)[C@H]1Cc2c(CN1Cc1ccccc1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C20H20N2O2/c1-24-20(23)19-11-16-15-9-5-6-10-17(15)21-18(16)13-22(19)12-14-7-3-2-4-8-14/h2-10,19,21H,11-13H2,1H3/t19-/m1/s1
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n/an/a 3.29E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50357562
PNG
(CHEMBL1915402)
Show SMILES COC(=O)[C@H]1Cc2c(CN1Cc1ccc(O)cc1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C20H20N2O3/c1-25-20(24)19-10-16-15-4-2-3-5-17(15)21-18(16)12-22(19)11-13-6-8-14(23)9-7-13/h2-9,19,21,23H,10-12H2,1H3/t19-/m1/s1
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n/an/a 3.75E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50357546
PNG
(CHEMBL1915401)
Show SMILES COC(=O)[C@@H]1Cc2c(CN1Cc1ccc(O)cc1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C20H20N2O3/c1-25-20(24)19-10-16-15-4-2-3-5-17(15)21-18(16)12-22(19)11-13-6-8-14(23)9-7-13/h2-9,19,21,23H,10-12H2,1H3/t19-/m0/s1
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n/an/a 3.88E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50357560
PNG
(CHEMBL1915399)
Show SMILES COC(=O)[C@@H]1Cc2c(CN1Cc1ccc(OCc3ccccc3)cc1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C27H26N2O3/c1-31-27(30)26-15-23-22-9-5-6-10-24(22)28-25(23)17-29(26)16-19-11-13-21(14-12-19)32-18-20-7-3-2-4-8-20/h2-14,26,28H,15-18H2,1H3/t26-/m0/s1
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n/an/a 3.92E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50357553
PNG
(CHEMBL1915169)
Show SMILES COC(=O)[C@@H]1Cc2c(CN1C(=O)NC1CCCCC1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C20H25N3O3/c1-26-19(24)18-11-15-14-9-5-6-10-16(14)22-17(15)12-23(18)20(25)21-13-7-3-2-4-8-13/h5-6,9-10,13,18,22H,2-4,7-8,11-12H2,1H3,(H,21,25)/t18-/m0/s1
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n/an/a 4.11E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50357556
PNG
(CHEMBL1915173)
Show SMILES COC(=O)[C@H]1Cc2c(CN1C(=O)NC1CCCCC1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C20H25N3O3/c1-26-19(24)18-11-15-14-9-5-6-10-16(14)22-17(15)12-23(18)20(25)21-13-7-3-2-4-8-13/h5-6,9-10,13,18,22H,2-4,7-8,11-12H2,1H3,(H,21,25)/t18-/m1/s1
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n/an/a 4.16E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50357539
PNG
(CHEMBL1915151)
Show SMILES COC(=O)[C@@H]1Cc2c(CN1C(=O)OCC=C)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C17H18N2O4/c1-3-8-23-17(21)19-10-14-12(9-15(19)16(20)22-2)11-6-4-5-7-13(11)18-14/h3-7,15,18H,1,8-10H2,2H3/t15-/m0/s1
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n/an/a 4.48E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of aromatase after 10 mins preincubation by plate reader relative to control


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50357559
PNG
(CHEMBL1915391)
Show SMILES OC(=O)[C@H]1Cc2c(CN1S(=O)(=O)c1ccc(Br)cc1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C18H15BrN2O4S/c19-11-5-7-12(8-6-11)26(24,25)21-10-16-14(9-17(21)18(22)23)13-3-1-2-4-15(13)20-16/h1-8,17,20H,9-10H2,(H,22,23)/t17-/m1/s1
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n/an/a 4.61E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50357544
PNG
(CHEMBL1915167)
Show SMILES COC(=O)[C@@H]1Cc2c(CN1C(=O)NC(C)C)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C17H21N3O3/c1-10(2)18-17(22)20-9-14-12(8-15(20)16(21)23-3)11-6-4-5-7-13(11)19-14/h4-7,10,15,19H,8-9H2,1-3H3,(H,18,22)/t15-/m0/s1
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n/an/a 4.73E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of aromatase after 10 mins preincubation by plate reader relative to control


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50357558
PNG
(CHEMBL1915179)
Show SMILES OC(=O)[C@@H]1Cc2c(CN1S(=O)(=O)c1ccc(Br)cc1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C18H15BrN2O4S/c19-11-5-7-12(8-6-11)26(24,25)21-10-16-14(9-17(21)18(22)23)13-3-1-2-4-15(13)20-16/h1-8,17,20H,9-10H2,(H,22,23)/t17-/m0/s1
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n/an/a 4.97E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20...


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50357546
PNG
(CHEMBL1915401)
Show SMILES COC(=O)[C@@H]1Cc2c(CN1Cc1ccc(O)cc1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C20H20N2O3/c1-25-20(24)19-10-16-15-4-2-3-5-17(15)21-18(16)12-22(19)11-13-6-8-14(23)9-7-13/h2-9,19,21,23H,10-12H2,1H3/t19-/m0/s1
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n/an/a 5.74E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of aromatase after 10 mins preincubation by plate reader relative to control


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50357543
PNG
(CHEMBL1915161)
Show SMILES COC(=O)[C@@H]1Cc2c(CN1CC1CC1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C17H20N2O2/c1-21-17(20)16-8-13-12-4-2-3-5-14(12)18-15(13)10-19(16)9-11-6-7-11/h2-5,11,16,18H,6-10H2,1H3/t16-/m0/s1
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n/an/a 5.86E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of aromatase after 10 mins preincubation by plate reader relative to control


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50357541
PNG
(CHEMBL1915156)
Show SMILES COC(=O)[C@@H]1Cc2c(CN1S(=O)(=O)c1ccc(C)cc1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C20H20N2O4S/c1-13-7-9-14(10-8-13)27(24,25)22-12-18-16(11-19(22)20(23)26-2)15-5-3-4-6-17(15)21-18/h3-10,19,21H,11-12H2,1-2H3/t19-/m0/s1
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n/an/a 6.32E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of aromatase after 10 mins preincubation by plate reader relative to control


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50357540
PNG
(CHEMBL1915152)
Show SMILES COC(=O)[C@@H]1Cc2c(CN1CC(C)C)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C17H22N2O2/c1-11(2)9-19-10-15-13(8-16(19)17(20)21-3)12-6-4-5-7-14(12)18-15/h4-7,11,16,18H,8-10H2,1-3H3/t16-/m0/s1
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n/an/a 6.45E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of aromatase after 10 mins preincubation by plate reader relative to control


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50357542
PNG
(CHEMBL1915159)
Show SMILES COC(=O)[C@H]1Cc2c(CN1S(C)(=O)=O)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C14H16N2O4S/c1-20-14(17)13-7-10-9-5-3-4-6-11(9)15-12(10)8-16(13)21(2,18)19/h3-6,13,15H,7-8H2,1-2H3/t13-/m1/s1
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n/an/a 6.81E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of aromatase after 10 mins preincubation by plate reader relative to control


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50357545
PNG
(CHEMBL1915176)
Show SMILES CC(C)CN1Cc2[nH]c3ccccc3c2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H20N2O2/c1-10(2)8-18-9-14-12(7-15(18)16(19)20)11-5-3-4-6-13(11)17-14/h3-6,10,15,17H,7-9H2,1-2H3,(H,19,20)/t15-/m0/s1
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n/an/a 7.20E+4n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of aromatase after 10 mins preincubation by plate reader relative to control


Bioorg Med Chem 19: 6182-95 (2011)


Article DOI: 10.1016/j.bmc.2011.09.020
BindingDB Entry DOI: 10.7270/Q2Z89CTS
More data for this
Ligand-Target Pair