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Patent code US10189791

Compile Data Set for Download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Nitric oxide synthase (inducible and endothelial)


(Homo sapiens (human))
BDBM331831
PNG
(US10189791, CDDO-Im 1)
Show SMILES CC1(C)CCC2(CCC3(C)C(C2C1)C(=O)C=C1C2(C)C=C(C#N)C(=O)C(C)(C)C2CCC31C)C(=O)n1ccnc1
Show InChI InChI=1S/C34H43N3O3/c1-29(2)10-12-34(28(40)37-15-14-36-20-37)13-11-33(7)26(22(34)18-29)23(38)16-25-31(5)17-21(19-35)27(39)30(3,4)24(31)8-9-32(25,33)6/h14-17,20,22,24,26H,8-13,18H2,1-7H3
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Trustees of Dartmouth College

US Patent


Assay Description
Because oxidative and inflammatory stress contribute to carcinogenesis (Albini & Sporn (2007) Nature Rev. Cancer 7:139-147), it was determined whethe...


US Patent US10189791 (2019)

More data for this
Ligand-Target Pair
Nitric oxide synthase (inducible and endothelial)


(Homo sapiens (human))
BDBM331833
PNG
(US10189791, CDDO-3P-Im 3)
Show SMILES CC1(C)CCC2(CCC3(C)C(C2C1)C(=O)C=C1C2(C)C=C(C#N)C(=O)C(C)(C)C2CCC31C)C(=O)n1cnc(c1)-c1cccnc1
Show InChI InChI=1S/C39H46N4O3/c1-34(2)12-14-39(33(46)43-22-27(42-23-43)24-9-8-16-41-21-24)15-13-38(7)31(26(39)19-34)28(44)17-30-36(5)18-25(20-40)32(45)35(3,4)29(36)10-11-37(30,38)6/h8-9,16-18,21-23,26,29,31H,10-15,19H2,1-7H3
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PC cid
PC sid
UniChem
US Patent
n/an/a 4.30n/an/an/an/an/an/a



Trustees of Dartmouth College

US Patent


Assay Description
Because oxidative and inflammatory stress contribute to carcinogenesis (Albini & Sporn (2007) Nature Rev. Cancer 7:139-147), it was determined whethe...


US Patent US10189791 (2019)

More data for this
Ligand-Target Pair
Nitric oxide synthase (inducible and endothelial)


(Homo sapiens (human))
BDBM331834
PNG
(US10189791, CDDO-2P-Im 4)
Show SMILES CC1(C)CCC2(CCC3(C)C(C2C1)C(=O)C=C1C2(C)C=C(C#N)C(=O)C(C)(C)C2CCC31C)C(=O)n1cnc(c1)-c1ccccn1
Show InChI InChI=1S/C39H46N4O3/c1-34(2)13-15-39(33(46)43-22-27(42-23-43)26-10-8-9-17-41-26)16-14-38(7)31(25(39)20-34)28(44)18-30-36(5)19-24(21-40)32(45)35(3,4)29(36)11-12-37(30,38)6/h8-10,17-19,22-23,25,29,31H,11-16,20H2,1-7H3
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.80n/an/an/an/an/an/a



Trustees of Dartmouth College

US Patent


Assay Description
Because oxidative and inflammatory stress contribute to carcinogenesis (Albini & Sporn (2007) Nature Rev. Cancer 7:139-147), it was determined whethe...


US Patent US10189791 (2019)

More data for this
Ligand-Target Pair
Nitric oxide synthase (inducible and endothelial)


(Homo sapiens (human))
BDBM331835
PNG
(US10189791, CDDO-4P-Im 5)
Show SMILES CC1(C)CCC2(CCC3(C)C(C2C1)C(=O)C=C1C2(C)C=C(C#N)C(=O)C(C)(C)C2CCC31C)C(=O)n1cnc(c1)-c1ccncc1
Show InChI InChI=1S/C39H46N4O3/c1-34(2)12-14-39(33(46)43-22-27(42-23-43)24-9-16-41-17-10-24)15-13-38(7)31(26(39)20-34)28(44)18-30-36(5)19-25(21-40)32(45)35(3,4)29(36)8-11-37(30,38)6/h9-10,16-19,22-23,26,29,31H,8,11-15,20H2,1-7H3
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/an/an/a



Trustees of Dartmouth College

US Patent


Assay Description
Because oxidative and inflammatory stress contribute to carcinogenesis (Albini & Sporn (2007) Nature Rev. Cancer 7:139-147), it was determined whethe...


US Patent US10189791 (2019)

More data for this
Ligand-Target Pair
Nitric oxide synthase (inducible and endothelial)


(Homo sapiens (human))
BDBM331832
PNG
(US10189791, CDDO-Phenyl-Im 2)
Show SMILES CC1(C)CCC2(CCC3(C)C(C2C1)C(=O)C=C1C2(C)C=C(C#N)C(=O)C(C)(C)C2CCC31C)C(=O)n1cnc(c1)-c1ccccc1
Show InChI InChI=1S/C40H47N3O3/c1-35(2)15-17-40(34(46)43-23-28(42-24-43)25-11-9-8-10-12-25)18-16-39(7)32(27(40)21-35)29(44)19-31-37(5)20-26(22-41)33(45)36(3,4)30(37)13-14-38(31,39)6/h8-12,19-20,23-24,27,30,32H,13-18,21H2,1-7H3
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 14.7n/an/an/an/an/an/a



Trustees of Dartmouth College

US Patent


Assay Description
Because oxidative and inflammatory stress contribute to carcinogenesis (Albini & Sporn (2007) Nature Rev. Cancer 7:139-147), it was determined whethe...


US Patent US10189791 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%