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PubMed code 23994869

Compile data set for download or QSAR
Found 6 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
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
Show InChI InChI=1/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-/s2
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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using dibenzylfluorscein as substrate incubated with NADP+ for 10 mins prior to substrate addition measured ...


Eur J Med Chem 68: 412-21 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.052
BindingDB Entry DOI: 10.7270/Q2765GSV
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50441056
PNG
(CHEMBL2430196)
Show SMILES Oc1ccc(O)c(c1)-c1cn2ccsc2n1
Show InChI InChI=1S/C11H8N2O2S/c14-7-1-2-10(15)8(5-7)9-6-13-3-4-16-11(13)12-9/h1-6,14-15H
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PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using dibenzylfluorscein as substrate incubated with NADP+ for 10 mins prior to substrate addition measured ...


Eur J Med Chem 68: 412-21 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.052
BindingDB Entry DOI: 10.7270/Q2765GSV
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50441057
PNG
(CHEMBL2430197)
Show SMILES Cc1cn2cc(nc2s1)-c1ccc(O)c(O)c1O
Show InChI InChI=1S/C12H10N2O3S/c1-6-4-14-5-8(13-12(14)18-6)7-2-3-9(15)11(17)10(7)16/h2-5,15-17H,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using dibenzylfluorscein as substrate incubated with NADP+ for 10 mins prior to substrate addition measured ...


Eur J Med Chem 68: 412-21 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.052
BindingDB Entry DOI: 10.7270/Q2765GSV
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50441056
PNG
(CHEMBL2430196)
Show SMILES Oc1ccc(O)c(c1)-c1cn2ccsc2n1
Show InChI InChI=1S/C11H8N2O2S/c14-7-1-2-10(15)8(5-7)9-6-13-3-4-16-11(13)12-9/h1-6,14-15H
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n/an/a 6.40E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in mouse RAW264.7 cells by Griess assay


Eur J Med Chem 68: 412-21 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.052
BindingDB Entry DOI: 10.7270/Q2765GSV
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50441057
PNG
(CHEMBL2430197)
Show SMILES Cc1cn2cc(nc2s1)-c1ccc(O)c(O)c1O
Show InChI InChI=1S/C12H10N2O3S/c1-6-4-14-5-8(13-12(14)18-6)7-2-3-9(15)11(17)10(7)16/h2-5,15-17H,1H3
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PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in mouse RAW264.7 cells by Griess assay


Eur J Med Chem 68: 412-21 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.052
BindingDB Entry DOI: 10.7270/Q2765GSV
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50441055
PNG
(CHEMBL1744478)
Show SMILES CNC(=N)NCCC[C@H](N)C(O)=O
Show InChI InChI=1/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-/s2
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CHEBI
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Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in mouse RAW264.7 cells by Griess assay


Eur J Med Chem 68: 412-21 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.052
BindingDB Entry DOI: 10.7270/Q2765GSV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%