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BDBM50213737 7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-5-ol::CHEMBL399203

SMILES: Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O

InChI Key: InChIKey=YRQLRCRBEYSAIN-UHFFFAOYSA-N

Data: 22 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50213737   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of adrenergic alpha-1A receptor


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a>3.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5HT1B receptor


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a>2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of adrenergic beta2 receptor


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a>2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of adrenergic A1 receptor


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a 7.60E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of human recombinant [125I]IL8 from CXCR1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a>7.90E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5HT6 receptor


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a 2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of P38alpha


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a>3.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of dopamine D3 receptor


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a 7.90E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PAI1


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a>3.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of histamine H3 receptor


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a>2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5HT4A receptor


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5HT2C receptor


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a>3.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5HT1D receptor


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a>2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of P2Y1 receptor


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a>3.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5HT1A receptor


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a 490n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 receptor expressed in CHOK1 cells assessed as human IL8-induced calcium mobilization by FLIPR


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a 2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of adenosine A2a receptor


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a>2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of adrenergic beta-1 receptor


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a 2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a>3.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of dopamine D2 receptor


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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n/an/a 54n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of human recombinant [125I]IL8 from CXCR2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair