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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'chiang' and Initial = 'my'   
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


(Mus musculus (mouse))
BDBM50359989
PNG
(CHEMBL1927943)
Show SMILES Cc1coc2C[C@](C)(C=C)[C@@H]3[C@@H](OC(=O)C3=C)c12 |r|
Show InChI InChI=1S/C15H16O3/c1-5-15(4)6-10-11(8(2)7-17-10)13-12(15)9(3)14(16)18-13/h5,7,12-13H,1,3,6H2,2,4H3/t12-,13-,15-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reagent method


J Nat Prod 74: 2489-96 (2011)


Article DOI: 10.1021/np100874f
BindingDB Entry DOI: 10.7270/Q2ST7Q8Z
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50359990
PNG
(PRUNETIN)
Show SMILES COc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
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Article
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n/an/a 1.05E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reagent method


J Nat Prod 74: 2489-96 (2011)


Article DOI: 10.1021/np100874f
BindingDB Entry DOI: 10.7270/Q2ST7Q8Z
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50359988
PNG
(CHEMBL1927942)
Show SMILES COc1cc2c3cc(O)ccc3[nH]c2c(Cc2ccc(O)cc2)n1
Show InChI InChI=1S/C19H16N2O3/c1-24-18-10-15-14-9-13(23)6-7-16(14)21-19(15)17(20-18)8-11-2-4-12(22)5-3-11/h2-7,9-10,21-23H,8H2,1H3
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n/an/a 1.84E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reagent method


J Nat Prod 74: 2489-96 (2011)


Article DOI: 10.1021/np100874f
BindingDB Entry DOI: 10.7270/Q2ST7Q8Z
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50312648
PNG
((2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-d...)
Show SMILES COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
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n/an/a 1.96E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reagent method


J Nat Prod 74: 2489-96 (2011)


Article DOI: 10.1021/np100874f
BindingDB Entry DOI: 10.7270/Q2ST7Q8Z
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50207159
PNG
(2-aminoguanidine | 2-azanylguanidine | AMINOGUANID...)
Show SMILES NNC(N)=N
Show InChI InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)
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n/an/a 2.85E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reagent method


J Nat Prod 74: 2489-96 (2011)


Article DOI: 10.1021/np100874f
BindingDB Entry DOI: 10.7270/Q2ST7Q8Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50225106
PNG
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)
Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8|
Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
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n/an/a 1.44E+5n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reagent method


J Nat Prod 74: 2489-96 (2011)


Article DOI: 10.1021/np100874f
BindingDB Entry DOI: 10.7270/Q2ST7Q8Z
More data for this
Ligand-Target Pair