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Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50020435   
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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213750
PNG
(3-(2-bromo-phenylamino)-7-nitro-1,1-dioxo-1,4-dihy...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Br)NS2(=O)=O)[N+]([O-])=O
Show InChI InChI=1S/C13H9BrN4O5S/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 26n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213736
PNG
(7-chloro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-d...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O
Show InChI InChI=1S/C19H14ClN3O4S/c20-12-10-15(24)18-17(11-12)28(25,26)23-19(22-18)21-14-8-4-5-9-16(14)27-13-6-2-1-3-7-13/h1-11,24H,(H2,21,22,23)
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n/an/a 54n/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
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
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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213741
PNG
(3-(2-bromo-phenylamino)-7-chloro-1,1-dioxo-1,4-dih...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1ccccc1Br)NS2(=O)=O
Show InChI InChI=1S/C13H9BrClN3O3S/c14-8-3-1-2-4-9(8)16-13-17-12-10(19)5-7(15)6-11(12)22(20,21)18-13/h1-6,19H,(H2,16,17,18)
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n/an/a 64n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213746
PNG
(7-chloro-3-(2-chloro-3-fluoro-phenylamino)-1,1-dio...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1cccc(F)c1Cl)NS2(=O)=O
Show InChI InChI=1S/C13H8Cl2FN3O3S/c14-6-4-9(20)12-10(5-6)23(21,22)19-13(18-12)17-8-3-1-2-7(16)11(8)15/h1-5,20H,(H2,17,18,19)
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n/an/a 64n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213758
PNG
(7-bromo-3-(2-bromo-phenylamino)-1,1-dioxo-1,4-dihy...)
Show SMILES Oc1cc(Br)cc2c1N=C(Nc1ccccc1Br)NS2(=O)=O
Show InChI InChI=1S/C13H9Br2N3O3S/c14-7-5-10(19)12-11(6-7)22(20,21)18-13(17-12)16-9-4-2-1-3-8(9)15/h1-6,19H,(H2,16,17,18)
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n/an/a 70n/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
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
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))
BDBM50213747
PNG
(7-chloro-3-(2-chloro-phenylamino)-1,1-dioxo-1,4-di...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1ccccc1Cl)NS2(=O)=O
Show InChI InChI=1S/C13H9Cl2N3O3S/c14-7-5-10(19)12-11(6-7)22(20,21)18-13(17-12)16-9-4-2-1-3-8(9)15/h1-6,19H,(H2,16,17,18)
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n/an/a 92n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213755
PNG
(3-(2-bromo-4-fluoro-phenylamino)-7-chloro-1,1-diox...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1ccc(F)cc1Br)NS2(=O)=O
Show InChI InChI=1S/C13H8BrClFN3O3S/c14-8-5-7(16)1-2-9(8)17-13-18-12-10(20)3-6(15)4-11(12)23(21,22)19-13/h1-5,20H,(H2,17,18,19)
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n/an/a 120n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213763
PNG
(3-(biphenyl-2-ylamino)-7-chloro-1,1-dioxo-1,4-dihy...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1ccccc1-c1ccccc1)NS2(=O)=O
Show InChI InChI=1S/C19H14ClN3O3S/c20-13-10-16(24)18-17(11-13)27(25,26)23-19(22-18)21-15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-11,24H,(H2,21,22,23)
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n/an/a 230n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213762
PNG
(7-chloro-3-(2-methoxy-phenylamino)-1,1-dioxo-1,4-d...)
Show SMILES COc1ccccc1NC1=Nc2c(O)cc(Cl)cc2S(=O)(=O)N1
Show InChI InChI=1S/C14H12ClN3O4S/c1-22-11-5-3-2-4-9(11)16-14-17-13-10(19)6-8(15)7-12(13)23(20,21)18-14/h2-7,19H,1H3,(H2,16,17,18)
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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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213756
PNG
(3-(2-bromo-phenylamino)-7-methyl-1,1-dioxo-1,4-dih...)
Show SMILES Cc1cc(O)c2N=C(Nc3ccccc3Br)NS(=O)(=O)c2c1
Show InChI InChI=1S/C14H12BrN3O3S/c1-8-6-11(19)13-12(7-8)22(20,21)18-14(17-13)16-10-5-3-2-4-9(10)15/h2-7,19H,1H3,(H2,16,17,18)
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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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213736
PNG
(7-chloro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-d...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O
Show InChI InChI=1S/C19H14ClN3O4S/c20-12-10-15(24)18-17(11-12)28(25,26)23-19(22-18)21-14-8-4-5-9-16(14)27-13-6-2-1-3-7-13/h1-11,24H,(H2,21,22,23)
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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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213761
PNG
(3-(2-bromo-phenylamino)-7-fluoro-1,1-dioxo-1,4-dih...)
Show SMILES Oc1cc(F)cc2c1N=C(Nc1ccccc1Br)NS2(=O)=O
Show InChI InChI=1S/C13H9BrFN3O3S/c14-8-3-1-2-4-9(8)16-13-17-12-10(19)5-7(15)6-11(12)22(20,21)18-13/h1-6,19H,(H2,16,17,18)
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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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213759
PNG
(7-chloro-1,1-dioxo-3-o-tolylamino-1,4-dihydro-1lam...)
Show SMILES Cc1ccccc1NC1=Nc2c(O)cc(Cl)cc2S(=O)(=O)N1
Show InChI InChI=1S/C14H12ClN3O3S/c1-8-4-2-3-5-10(8)16-14-17-13-11(19)6-9(15)7-12(13)22(20,21)18-14/h2-7,19H,1H3,(H2,16,17,18)
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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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213741
PNG
(3-(2-bromo-phenylamino)-7-chloro-1,1-dioxo-1,4-dih...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1ccccc1Br)NS2(=O)=O
Show InChI InChI=1S/C13H9BrClN3O3S/c14-8-3-1-2-4-9(8)16-13-17-12-10(19)5-7(15)6-11(12)22(20,21)18-13/h1-6,19H,(H2,16,17,18)
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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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213746
PNG
(7-chloro-3-(2-chloro-3-fluoro-phenylamino)-1,1-dio...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1cccc(F)c1Cl)NS2(=O)=O
Show InChI InChI=1S/C13H8Cl2FN3O3S/c14-6-4-9(20)12-10(5-6)23(21,22)19-13(18-12)17-8-3-1-2-7(16)11(8)15/h1-5,20H,(H2,17,18,19)
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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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213743
PNG
(3-(2-bromo-phenylamino)-8-chloro-1,1-dioxo-1,4-dih...)
Show SMILES Oc1ccc(Cl)c2c1N=C(Nc1ccccc1Br)NS2(=O)=O
Show InChI InChI=1S/C13H9BrClN3O3S/c14-7-3-1-2-4-9(7)16-13-17-11-10(19)6-5-8(15)12(11)22(20,21)18-13/h1-6,19H,(H2,16,17,18)
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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
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
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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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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213747
PNG
(7-chloro-3-(2-chloro-phenylamino)-1,1-dioxo-1,4-di...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1ccccc1Cl)NS2(=O)=O
Show InChI InChI=1S/C13H9Cl2N3O3S/c14-7-5-10(19)12-11(6-7)22(20,21)18-13(17-12)16-9-4-2-1-3-8(9)15/h1-6,19H,(H2,16,17,18)
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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
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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213750
PNG
(3-(2-bromo-phenylamino)-7-nitro-1,1-dioxo-1,4-dihy...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Br)NS2(=O)=O)[N+]([O-])=O
Show InChI InChI=1S/C13H9BrN4O5S/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
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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213753
PNG
(7-chloro-3-(2-fluoro-phenylamino)-1,1-dioxo-1,4-di...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1ccccc1F)NS2(=O)=O
Show InChI InChI=1S/C13H9ClFN3O3S/c14-7-5-10(19)12-11(6-7)22(20,21)18-13(17-12)16-9-4-2-1-3-8(9)15/h1-6,19H,(H2,16,17,18)
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n/an/a 740n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213745
PNG
(7-chloro-1,1-dioxo-3-(2-trifluoromethyl-phenylamin...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1ccccc1C(F)(F)F)NS2(=O)=O
Show InChI InChI=1S/C14H9ClF3N3O3S/c15-7-5-10(22)12-11(6-7)25(23,24)21-13(20-12)19-9-4-2-1-3-8(9)14(16,17)18/h1-6,22H,(H2,19,20,21)
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n/an/a 830n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213764
PNG
(7-chloro-1,1-dioxo-3-(2-trifluoromethoxy-phenylami...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1ccccc1OC(F)(F)F)NS2(=O)=O
Show InChI InChI=1S/C14H9ClF3N3O4S/c15-7-5-9(22)12-11(6-7)26(23,24)21-13(20-12)19-8-3-1-2-4-10(8)25-14(16,17)18/h1-6,22H,(H2,19,20,21)
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n/an/a 930n/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
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
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
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
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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213757
PNG
(3-(2-bromo-6-fluoro-phenylamino)-7-chloro-1,1-diox...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1c(F)cccc1Br)NS2(=O)=O
Show InChI InChI=1S/C13H8BrClFN3O3S/c14-7-2-1-3-8(16)11(7)17-13-18-12-9(20)4-6(15)5-10(12)23(21,22)19-13/h1-5,20H,(H2,17,18,19)
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n/an/a 1.60E+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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213765
PNG
(7-chloro-1,1-dioxo-3-phenylamino-1,4-dihydro-1lamb...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1ccccc1)NS2(=O)=O
Show InChI InChI=1S/C13H10ClN3O3S/c14-8-6-10(18)12-11(7-8)21(19,20)17-13(16-12)15-9-4-2-1-3-5-9/h1-7,18H,(H2,15,16,17)
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n/an/a 2.40E+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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213751
PNG
(3-(2-bromo-phenylamino)-8-fluoro-1,1-dioxo-1,4-dih...)
Show SMILES Oc1ccc(F)c2c1N=C(Nc1ccccc1Br)NS2(=O)=O
Show InChI InChI=1S/C13H9BrFN3O3S/c14-7-3-1-2-4-9(7)16-13-17-11-10(19)6-5-8(15)12(11)22(20,21)18-13/h1-6,19H,(H2,16,17,18)
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n/an/a 3.00E+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
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50213750
PNG
(3-(2-bromo-phenylamino)-7-nitro-1,1-dioxo-1,4-dihy...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Br)NS2(=O)=O)[N+]([O-])=O
Show InChI InChI=1S/C13H9BrN4O5S/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 3.20E+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
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
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
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
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 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
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
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
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
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
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
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
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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213754
PNG
(3-(2-bromo-5-fluoro-phenylamino)-7-chloro-1,1-diox...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1cc(F)ccc1Br)NS2(=O)=O
Show InChI InChI=1S/C13H8BrClFN3O3S/c14-8-2-1-7(16)5-9(8)17-13-18-12-10(20)3-6(15)4-11(12)23(21,22)19-13/h1-5,20H,(H2,17,18,19)
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n/an/a 3.90E+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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213740
PNG
(1-[2-(7-chloro-5-hydroxy-1,1-dioxo-1,4-dihydro-1la...)
Show SMILES CC(=O)c1ccccc1NC1=Nc2c(O)cc(Cl)cc2S(=O)(=O)N1
Show InChI InChI=1S/C15H12ClN3O4S/c1-8(20)10-4-2-3-5-11(10)17-15-18-14-12(21)6-9(16)7-13(14)24(22,23)19-15/h2-7,21H,1H3,(H2,17,18,19)
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n/an/a 4.50E+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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213760
PNG
(3-(4-bromo-phenylamino)-7-chloro-1,1-dioxo-1,4-dih...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1ccc(Br)cc1)NS2(=O)=O
Show InChI InChI=1S/C13H9BrClN3O3S/c14-7-1-3-9(4-2-7)16-13-17-12-10(19)5-8(15)6-11(12)22(20,21)18-13/h1-6,19H,(H2,16,17,18)
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n/an/a 5.10E+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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213738
PNG
(3-(2-chloro-phenylamino)-1,1-dioxo-1,4-dihydro-1la...)
Show SMILES Oc1cccc2c1N=C(Nc1ccccc1Cl)NS2(=O)=O
Show InChI InChI=1S/C13H10ClN3O3S/c14-8-4-1-2-5-9(8)15-13-16-12-10(18)6-3-7-11(12)21(19,20)17-13/h1-7,18H,(H2,15,16,17)
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n/an/a 5.20E+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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213749
PNG
(3-(3-bromo-phenylamino)-7-chloro-1,1-dioxo-1,4-dih...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1cccc(Br)c1)NS2(=O)=O
Show InChI InChI=1S/C13H9BrClN3O3S/c14-7-2-1-3-9(4-7)16-13-17-12-10(19)5-8(15)6-11(12)22(20,21)18-13/h1-6,19H,(H2,16,17,18)
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n/an/a 6.10E+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
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
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
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
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
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)
PDB
MMDB

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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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213767
PNG
(3-benzylamino-7-chloro-1,1-dioxo-1,4-dihydro-1lamb...)
Show SMILES Oc1cc(Cl)cc2c1N=C(NCc1ccccc1)NS2(=O)=O
Show InChI InChI=1S/C14H12ClN3O3S/c15-10-6-11(19)13-12(7-10)22(20,21)18-14(17-13)16-8-9-4-2-1-3-5-9/h1-7,19H,8H2,(H2,16,17,18)
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n/an/a 8.00E+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
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
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
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
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
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
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
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50213746
PNG
(7-chloro-3-(2-chloro-3-fluoro-phenylamino)-1,1-dio...)
Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1cccc(F)c1Cl)NS2(=O)=O
Show InChI InChI=1S/C13H8Cl2FN3O3S/c14-6-4-9(20)12-10(5-6)23(21,22)19-13(18-12)17-8-3-1-2-7(16)11(8)15/h1-5,20H,(H2,17,18,19)
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n/an/a 1.30E+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
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