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BDBM50213744 3-(2-chloro-phenylamino)-7-nitro-1,1-dioxo-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-5-ol::CHEMBL231924

SMILES: Oc1cc(cc2c1N=C(Nc1ccccc1Cl)NS2(=O)=O)[N+]([O-])=O

InChI Key: InChIKey=MXDWNZUMSIYAFL-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50213744   
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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213744
PNG
(3-(2-chloro-phenylamino)-7-nitro-1,1-dioxo-1,4-dih...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Cl)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C13H9ClN4O5S/c14-8-3-1-2-4-9(8)15-13-16-12-10(19)5-7(18(20)21)6-11(12)24(22,23)17-13/h1-6,19H,(H2,15,16,17)
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n/an/a 81n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213744
PNG
(3-(2-chloro-phenylamino)-7-nitro-1,1-dioxo-1,4-dih...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Cl)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C13H9ClN4O5S/c14-8-3-1-2-4-9(8)15-13-16-12-10(19)5-7(18(20)21)6-11(12)24(22,23)17-13/h1-6,19H,(H2,15,16,17)
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n/an/a 1.10E+3n/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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50213744
PNG
(3-(2-chloro-phenylamino)-7-nitro-1,1-dioxo-1,4-dih...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Cl)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C13H9ClN4O5S/c14-8-3-1-2-4-9(8)15-13-16-12-10(19)5-7(18(20)21)6-11(12)24(22,23)17-13/h1-6,19H,(H2,15,16,17)
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n/an/a 600n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


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
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50213744
PNG
(3-(2-chloro-phenylamino)-7-nitro-1,1-dioxo-1,4-dih...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Cl)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C13H9ClN4O5S/c14-8-3-1-2-4-9(8)15-13-16-12-10(19)5-7(18(20)21)6-11(12)24(22,23)17-13/h1-6,19H,(H2,15,16,17)
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n/an/a>2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


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))
BDBM50213744
PNG
(3-(2-chloro-phenylamino)-7-nitro-1,1-dioxo-1,4-dih...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Cl)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C13H9ClN4O5S/c14-8-3-1-2-4-9(8)15-13-16-12-10(19)5-7(18(20)21)6-11(12)24(22,23)17-13/h1-6,19H,(H2,15,16,17)
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n/an/a 1.20E+4n/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
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50213744
PNG
(3-(2-chloro-phenylamino)-7-nitro-1,1-dioxo-1,4-dih...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Cl)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C13H9ClN4O5S/c14-8-3-1-2-4-9(8)15-13-16-12-10(19)5-7(18(20)21)6-11(12)24(22,23)17-13/h1-6,19H,(H2,15,16,17)
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n/an/a>2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50213744
PNG
(3-(2-chloro-phenylamino)-7-nitro-1,1-dioxo-1,4-dih...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Cl)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C13H9ClN4O5S/c14-8-3-1-2-4-9(8)15-13-16-12-10(19)5-7(18(20)21)6-11(12)24(22,23)17-13/h1-6,19H,(H2,15,16,17)
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n/an/a>2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


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