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PubMed code 27096048

Compile data set for download or QSAR
Found 80 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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182267
PNG
(CHEMBL3818853)
Show SMILES Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCCC1
Show InChI InChI=1S/C18H17Cl2FN2O4S/c19-11-8-9-14(16(24)17(11)28(26,27)10-4-1-2-5-10)23-18(25)22-13-7-3-6-12(21)15(13)20/h3,6-10,24H,1-2,4-5H2,(H2,22,23,25)
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n/an/a 0.316n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182266
PNG
(CHEMBL3818984)
Show SMILES Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCC1
Show InChI InChI=1S/C17H15Cl2FN2O4S/c18-10-7-8-13(15(23)16(10)27(25,26)9-3-1-4-9)22-17(24)21-12-6-2-5-11(20)14(12)19/h2,5-9,23H,1,3-4H2,(H2,21,22,24)
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n/an/a 0.316n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182268
PNG
(CHEMBL3819480)
Show SMILES Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H19Cl2FN2O4S/c20-12-9-10-15(24-19(26)23-14-8-4-7-13(22)16(14)21)17(25)18(12)29(27,28)11-5-2-1-3-6-11/h4,7-11,25H,1-3,5-6H2,(H2,23,24,26)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182276
PNG
(CHEMBL3818581)
Show SMILES CN1CCC2(CCC(CC2)S(=O)(=O)c2c(Cl)ccc(NC(=O)Nc3cccc(F)c3Cl)c2O)CC1
Show InChI InChI=1S/C24H28Cl2FN3O4S/c1-30-13-11-24(12-14-30)9-7-15(8-10-24)35(33,34)22-16(25)5-6-19(21(22)31)29-23(32)28-18-4-2-3-17(27)20(18)26/h2-6,15,31H,7-14H2,1H3,(H2,28,29,32)
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n/an/a 0.398n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182274
PNG
(CHEMBL3819163)
Show SMILES CN1CC2(CC(C2)S(=O)(=O)c2c(Cl)ccc(NC(=O)Nc3cccc(F)c3Cl)c2O)C1
Show InChI InChI=1S/C20H20Cl2FN3O4S/c1-26-9-20(10-26)7-11(8-20)31(29,30)18-12(21)5-6-15(17(18)27)25-19(28)24-14-4-2-3-13(23)16(14)22/h2-6,11,27H,7-10H2,1H3,(H2,24,25,28)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182273
PNG
(CHEMBL3818827)
Show SMILES CN1CCC[C@@H](CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O |r|
Show InChI InChI=1/C20H22Cl2FN3O4S/c1-26-10-3-4-12(9-11-26)31(29,30)19-13(21)7-8-16(18(19)27)25-20(28)24-15-6-2-5-14(23)17(15)22/h2,5-8,12,27H,3-4,9-11H2,1H3,(H2,24,25,28)/t12-/s2
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182265
PNG
(CHEMBL3819569)
Show SMILES CC(C)(C)S(=O)(=O)c1c(O)c(NC(=O)Nc2cccc(F)c2Cl)ccc1Cl
Show InChI InChI=1S/C17H17Cl2FN2O4S/c1-17(2,3)27(25,26)15-9(18)7-8-12(14(15)23)22-16(24)21-11-6-4-5-10(20)13(11)19/h4-8,23H,1-3H3,(H2,21,22,24)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182269
PNG
(CHEMBL3818793)
Show SMILES Oc1c(NC(=O)Nc2cccc(Cl)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCOC1
Show InChI InChI=1/C17H15Cl3N2O5S/c18-10-2-1-3-12(14(10)20)21-17(24)22-13-5-4-11(19)16(15(13)23)28(25,26)9-6-7-27-8-9/h1-5,9,23H,6-8H2,(H2,21,22,24)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182262
PNG
(CHEMBL3819295)
Show SMILES CCS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C15H13Cl3N2O4S/c1-2-25(23,24)14-9(17)6-7-11(13(14)21)20-15(22)19-10-5-3-4-8(16)12(10)18/h3-7,21H,2H2,1H3,(H2,19,20,22)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182278
PNG
(CHEMBL3819221)
Show SMILES Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1C(=O)N1CCCCC1
Show InChI InChI=1S/C19H18Cl2FN3O3/c20-11-7-8-14(17(26)15(11)18(27)25-9-2-1-3-10-25)24-19(28)23-13-6-4-5-12(22)16(13)21/h4-8,26H,1-3,9-10H2,(H2,23,24,28)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182272
PNG
(CHEMBL3818277)
Show SMILES CN1CC[C@@H](C1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O |r|
Show InChI InChI=1/C18H18Cl2FN3O4S/c1-24-8-7-10(9-24)29(27,28)17-11(19)5-6-14(16(17)25)23-18(26)22-13-4-2-3-12(21)15(13)20/h2-6,10,25H,7-9H2,1H3,(H2,22,23,26)/t10-/s2
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182251
PNG
(CHEMBL3819512)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C19H20Cl2FN3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-12(20)5-6-15(17(18)26)24-19(27)23-14-4-2-3-13(22)16(14)21/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182263
PNG
(CHEMBL3817901)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C16H15Cl2FN2O4S/c1-8(2)26(24,25)15-9(17)6-7-12(14(15)22)21-16(23)20-11-5-3-4-10(19)13(11)18/h3-8,22H,1-2H3,(H2,20,21,23)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182255
PNG
(CHEMBL3818458)
Show SMILES Oc1c(NC(=O)Nc2cccc(Cl)c2Cl)ccc(Cl)c1S(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C17H17Cl3N4O4S/c18-10-2-1-3-12(14(10)20)22-17(26)23-13-5-4-11(19)16(15(13)25)29(27,28)24-8-6-21-7-9-24/h1-5,21,25H,6-9H2,(H2,22,23,26)
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n/an/a 0.631n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182264
PNG
(CHEMBL3818216)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C16H15Cl3N2O4S/c1-8(2)26(24,25)15-10(18)6-7-12(14(15)22)21-16(23)20-11-5-3-4-9(17)13(11)19/h3-8,22H,1-2H3,(H2,20,21,23)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182270
PNG
(CHEMBL3818820)
Show SMILES Oc1c(NC(=O)Nc2cccc(Cl)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCOCC1
Show InChI InChI=1S/C18H17Cl3N2O5S/c19-11-2-1-3-13(15(11)21)22-18(25)23-14-5-4-12(20)17(16(14)24)29(26,27)10-6-8-28-9-7-10/h1-5,10,24H,6-9H2,(H2,22,23,25)
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n/an/a 0.794n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182257
PNG
(CHEMBL3818917)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C18H19Cl2FN4O4S/c1-24-7-9-25(10-8-24)30(28,29)17-11(19)5-6-14(16(17)26)23-18(27)22-13-4-2-3-12(21)15(13)20/h2-6,26H,7-10H2,1H3,(H2,22,23,27)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182256
PNG
(CHEMBL3819542)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C18H19Cl3N4O4S/c1-24-7-9-25(10-8-24)30(28,29)17-12(20)5-6-14(16(17)26)23-18(27)22-13-4-2-3-11(19)15(13)21/h2-6,26H,7-10H2,1H3,(H2,22,23,27)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182277
PNG
(CHEMBL3818323)
Show SMILES Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1C(=O)N1CCCC1
Show InChI InChI=1S/C18H16Cl2FN3O3/c19-10-6-7-13(16(25)14(10)17(26)24-8-1-2-9-24)23-18(27)22-12-5-3-4-11(21)15(12)20/h3-7,25H,1-2,8-9H2,(H2,22,23,27)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182258
PNG
(CHEMBL3819382)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C19H21Cl2FN4O4S/c1-2-25-8-10-26(11-9-25)31(29,30)18-12(20)6-7-15(17(18)27)24-19(28)23-14-5-3-4-13(22)16(14)21/h3-7,27H,2,8-11H2,1H3,(H2,23,24,28)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182252
PNG
(CHEMBL3818331)
Show SMILES CCN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C20H22Cl2FN3O4S/c1-2-26-10-8-12(9-11-26)31(29,30)19-13(21)6-7-16(18(19)27)25-20(28)24-15-5-3-4-14(23)17(15)22/h3-7,12,27H,2,8-11H2,1H3,(H2,24,25,28)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182253
PNG
(CHEMBL3818179)
Show SMILES CN1CC[C@@H](C1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O |r|
Show InChI InChI=1/C18H18Cl3N3O4S/c1-24-8-7-10(9-24)29(27,28)17-12(20)5-6-14(16(17)25)23-18(26)22-13-4-2-3-11(19)15(13)21/h2-6,10,25H,7-9H2,1H3,(H2,22,23,26)/t10-/s2
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182259
PNG
(CHEMBL3819603)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C20H23Cl2FN4O4S/c1-12(2)26-8-10-27(11-9-26)32(30,31)19-13(21)6-7-16(18(19)28)25-20(29)24-15-5-3-4-14(23)17(15)22/h3-7,12,28H,8-11H2,1-2H3,(H2,24,25,29)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182250
PNG
(CHEMBL3819521)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C19H20Cl3N3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-13(21)5-6-15(17(18)26)24-19(27)23-14-4-2-3-12(20)16(14)22/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182271
PNG
(CHEMBL3818269)
Show SMILES Oc1c(NC(=O)Nc2cccc(Cl)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCNCC1
Show InChI InChI=1S/C18H18Cl3N3O4S/c19-11-2-1-3-13(15(11)21)23-18(26)24-14-5-4-12(20)17(16(14)25)29(27,28)10-6-8-22-9-7-10/h1-5,10,22,25H,6-9H2,(H2,23,24,26)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182275
PNG
(CHEMBL3819070)
Show SMILES CN1CCC2(CC(C2)S(=O)(=O)c2c(Cl)ccc(NC(=O)Nc3cccc(F)c3Cl)c2O)CC1
Show InChI InChI=1S/C22H24Cl2FN3O4S/c1-28-9-7-22(8-10-28)11-13(12-22)33(31,32)20-14(23)5-6-17(19(20)29)27-21(30)26-16-4-2-3-15(25)18(16)24/h2-6,13,29H,7-12H2,1H3,(H2,26,27,30)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182275
PNG
(CHEMBL3819070)
Show SMILES CN1CCC2(CC(C2)S(=O)(=O)c2c(Cl)ccc(NC(=O)Nc3cccc(F)c3Cl)c2O)CC1
Show InChI InChI=1S/C22H24Cl2FN3O4S/c1-28-9-7-22(8-10-28)11-13(12-22)33(31,32)20-14(23)5-6-17(19(20)29)27-21(30)26-16-4-2-3-15(25)18(16)24/h2-6,13,29H,7-12H2,1H3,(H2,26,27,30)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182254
PNG
(CHEMBL3819292)
Show SMILES NS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C13H10Cl3N3O4S/c14-6-2-1-3-8(10(6)16)18-13(21)19-9-5-4-7(15)12(11(9)20)24(17,22)23/h1-5,20H,(H2,17,22,23)(H2,18,19,21)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182260
PNG
(CHEMBL3819013)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O |r|
Show InChI InChI=1/C19H20Cl2FN3O5S/c1-10-8-25(9-11(2)30-10)31(28,29)18-12(20)6-7-15(17(18)26)24-19(27)23-14-5-3-4-13(22)16(14)21/h3-7,10-11,26H,8-9H2,1-2H3,(H2,23,24,27)/t10-,11+
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182270
PNG
(CHEMBL3818820)
Show SMILES Oc1c(NC(=O)Nc2cccc(Cl)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCOCC1
Show InChI InChI=1S/C18H17Cl3N2O5S/c19-11-2-1-3-13(15(11)21)22-18(25)23-14-5-4-12(20)17(16(14)24)29(26,27)10-6-8-28-9-7-10/h1-5,10,24H,6-9H2,(H2,22,23,25)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182278
PNG
(CHEMBL3819221)
Show SMILES Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1C(=O)N1CCCCC1
Show InChI InChI=1S/C19H18Cl2FN3O3/c20-11-7-8-14(17(26)15(11)18(27)25-9-2-1-3-10-25)24-19(28)23-13-6-4-5-12(22)16(13)21/h4-8,26H,1-3,9-10H2,(H2,23,24,28)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182269
PNG
(CHEMBL3818793)
Show SMILES Oc1c(NC(=O)Nc2cccc(Cl)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCOC1
Show InChI InChI=1/C17H15Cl3N2O5S/c18-10-2-1-3-12(14(10)20)21-17(24)22-13-5-4-11(19)16(15(13)23)28(25,26)9-6-7-27-8-9/h1-5,9,23H,6-8H2,(H2,21,22,24)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182277
PNG
(CHEMBL3818323)
Show SMILES Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1C(=O)N1CCCC1
Show InChI InChI=1S/C18H16Cl2FN3O3/c19-10-6-7-13(16(25)14(10)17(26)24-8-1-2-9-24)23-18(27)22-12-5-3-4-11(21)15(12)20/h3-7,25H,1-2,8-9H2,(H2,22,23,27)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182263
PNG
(CHEMBL3817901)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C16H15Cl2FN2O4S/c1-8(2)26(24,25)15-9(17)6-7-12(14(15)22)21-16(23)20-11-5-3-4-10(19)13(11)18/h3-8,22H,1-2H3,(H2,20,21,23)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182261
PNG
(CHEMBL3817880)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O |r|
Show InChI InChI=1/C19H20Cl3N3O5S/c1-10-8-25(9-11(2)30-10)31(28,29)18-13(21)6-7-15(17(18)26)24-19(27)23-14-5-3-4-12(20)16(14)22/h3-7,10-11,26H,8-9H2,1-2H3,(H2,23,24,27)/t10-,11+
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182266
PNG
(CHEMBL3818984)
Show SMILES Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCC1
Show InChI InChI=1S/C17H15Cl2FN2O4S/c18-10-7-8-13(15(23)16(10)27(25,26)9-3-1-4-9)22-17(24)21-12-6-2-5-11(20)14(12)19/h2,5-9,23H,1,3-4H2,(H2,21,22,24)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182267
PNG
(CHEMBL3818853)
Show SMILES Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCCC1
Show InChI InChI=1S/C18H17Cl2FN2O4S/c19-11-8-9-14(16(24)17(11)28(26,27)10-4-1-2-5-10)23-18(25)22-13-7-3-6-12(21)15(13)20/h3,6-10,24H,1-2,4-5H2,(H2,22,23,25)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182276
PNG
(CHEMBL3818581)
Show SMILES CN1CCC2(CCC(CC2)S(=O)(=O)c2c(Cl)ccc(NC(=O)Nc3cccc(F)c3Cl)c2O)CC1
Show InChI InChI=1S/C24H28Cl2FN3O4S/c1-30-13-11-24(12-14-30)9-7-15(8-10-24)35(33,34)22-16(25)5-6-19(21(22)31)29-23(32)28-18-4-2-3-17(27)20(18)26/h2-6,15,31H,7-14H2,1H3,(H2,28,29,32)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182251
PNG
(CHEMBL3819512)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C19H20Cl2FN3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-12(20)5-6-15(17(18)26)24-19(27)23-14-4-2-3-13(22)16(14)21/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182265
PNG
(CHEMBL3819569)
Show SMILES CC(C)(C)S(=O)(=O)c1c(O)c(NC(=O)Nc2cccc(F)c2Cl)ccc1Cl
Show InChI InChI=1S/C17H17Cl2FN2O4S/c1-17(2,3)27(25,26)15-9(18)7-8-12(14(15)23)22-16(24)21-11-6-4-5-10(20)13(11)19/h4-8,23H,1-3H3,(H2,21,22,24)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182272
PNG
(CHEMBL3818277)
Show SMILES CN1CC[C@@H](C1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O |r|
Show InChI InChI=1/C18H18Cl2FN3O4S/c1-24-8-7-10(9-24)29(27,28)17-11(19)5-6-14(16(17)25)23-18(26)22-13-4-2-3-12(21)15(13)20/h2-6,10,25H,7-9H2,1H3,(H2,22,23,26)/t10-/s2
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182268
PNG
(CHEMBL3819480)
Show SMILES Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C19H19Cl2FN2O4S/c20-12-9-10-15(24-19(26)23-14-8-4-7-13(22)16(14)21)17(25)18(12)29(27,28)11-5-2-1-3-6-11/h4,7-11,25H,1-3,5-6H2,(H2,23,24,26)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182273
PNG
(CHEMBL3818827)
Show SMILES CN1CCC[C@@H](CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O |r|
Show InChI InChI=1/C20H22Cl2FN3O4S/c1-26-10-3-4-12(9-11-26)31(29,30)19-13(21)7-8-16(18(19)27)25-20(28)24-15-6-2-5-14(23)17(15)22/h2,5-8,12,27H,3-4,9-11H2,1H3,(H2,24,25,28)/t12-/s2
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182264
PNG
(CHEMBL3818216)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C16H15Cl3N2O4S/c1-8(2)26(24,25)15-10(18)6-7-12(14(15)22)21-16(23)20-11-5-3-4-9(17)13(11)19/h3-8,22H,1-2H3,(H2,20,21,23)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182252
PNG
(CHEMBL3818331)
Show SMILES CCN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C20H22Cl2FN3O4S/c1-2-26-10-8-12(9-11-26)31(29,30)19-13(21)6-7-16(18(19)27)25-20(28)24-15-5-3-4-14(23)17(15)22/h3-7,12,27H,2,8-11H2,1H3,(H2,24,25,28)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182250
PNG
(CHEMBL3819521)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C19H20Cl3N3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-13(21)5-6-15(17(18)26)24-19(27)23-14-4-2-3-12(20)16(14)22/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182253
PNG
(CHEMBL3818179)
Show SMILES CN1CC[C@@H](C1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O |r|
Show InChI InChI=1/C18H18Cl3N3O4S/c1-24-8-7-10(9-24)29(27,28)17-12(20)5-6-14(16(17)25)23-18(26)22-13-4-2-3-11(19)15(13)21/h2-6,10,25H,7-9H2,1H3,(H2,22,23,26)/t10-/s2
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182257
PNG
(CHEMBL3818917)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C18H19Cl2FN4O4S/c1-24-7-9-25(10-8-24)30(28,29)17-11(19)5-6-14(16(17)26)23-18(27)22-13-4-2-3-12(21)15(13)20/h2-6,26H,7-10H2,1H3,(H2,22,23,27)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182254
PNG
(CHEMBL3819292)
Show SMILES NS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C13H10Cl3N3O4S/c14-6-2-1-3-8(10(6)16)18-13(21)19-9-5-4-7(15)12(11(9)20)24(17,22)23/h1-5,20H,(H2,17,22,23)(H2,18,19,21)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182274
PNG
(CHEMBL3819163)
Show SMILES CN1CC2(CC(C2)S(=O)(=O)c2c(Cl)ccc(NC(=O)Nc3cccc(F)c3Cl)c2O)C1
Show InChI InChI=1S/C20H20Cl2FN3O4S/c1-26-9-20(10-26)7-11(8-20)31(29,30)18-12(21)5-6-15(17(18)27)25-19(28)24-14-4-2-3-13(23)16(14)22/h2-6,11,27H,7-10H2,1H3,(H2,24,25,28)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182256
PNG
(CHEMBL3819542)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C18H19Cl3N4O4S/c1-24-7-9-25(10-8-24)30(28,29)17-12(20)5-6-14(16(17)26)23-18(27)22-13-4-2-3-11(19)15(13)21/h2-6,26H,7-10H2,1H3,(H2,22,23,27)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182259
PNG
(CHEMBL3819603)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C20H23Cl2FN4O4S/c1-12(2)26-8-10-27(11-9-26)32(30,31)19-13(21)6-7-16(18(19)28)25-20(29)24-15-5-3-4-14(23)17(15)22/h3-7,12,28H,8-11H2,1-2H3,(H2,24,25,29)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182258
PNG
(CHEMBL3819382)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C19H21Cl2FN4O4S/c1-2-25-8-10-26(11-9-25)31(29,30)18-12(20)6-7-15(17(18)27)24-19(28)23-14-5-3-4-13(22)16(14)21/h3-7,27H,2,8-11H2,1H3,(H2,23,24,28)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182260
PNG
(CHEMBL3819013)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O |r|
Show InChI InChI=1/C19H20Cl2FN3O5S/c1-10-8-25(9-11(2)30-10)31(28,29)18-12(20)6-7-15(17(18)26)24-19(27)23-14-5-3-4-13(22)16(14)21/h3-7,10-11,26H,8-9H2,1-2H3,(H2,23,24,27)/t10-,11+
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182262
PNG
(CHEMBL3819295)
Show SMILES CCS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C15H13Cl3N2O4S/c1-2-25(23,24)14-9(17)6-7-11(13(14)21)20-15(22)19-10-5-3-4-8(16)12(10)18/h3-7,21H,2H2,1H3,(H2,19,20,22)
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n/an/a 6.31E+3n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50182253
PNG
(CHEMBL3818179)
Show SMILES CN1CC[C@@H](C1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O |r|
Show InChI InChI=1/C18H18Cl3N3O4S/c1-24-8-7-10(9-24)29(27,28)17-12(20)5-6-14(16(17)25)23-18(26)22-13-4-2-3-11(19)15(13)21/h2-6,10,25H,7-9H2,1H3,(H2,22,23,26)/t10-/s2
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50182250
PNG
(CHEMBL3819521)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C19H20Cl3N3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-13(21)5-6-15(17(18)26)24-19(27)23-14-4-2-3-12(20)16(14)22/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50182251
PNG
(CHEMBL3819512)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C19H20Cl2FN3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-12(20)5-6-15(17(18)26)24-19(27)23-14-4-2-3-13(22)16(14)21/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182255
PNG
(CHEMBL3818458)
Show SMILES Oc1c(NC(=O)Nc2cccc(Cl)c2Cl)ccc(Cl)c1S(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C17H17Cl3N4O4S/c18-10-2-1-3-12(14(10)20)22-17(26)23-13-5-4-11(19)16(15(13)25)29(27,28)24-8-6-21-7-9-24/h1-5,21,25H,6-9H2,(H2,22,23,26)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50182251
PNG
(CHEMBL3819512)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C19H20Cl2FN3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-12(20)5-6-15(17(18)26)24-19(27)23-14-4-2-3-13(22)16(14)21/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50182252
PNG
(CHEMBL3818331)
Show SMILES CCN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C20H22Cl2FN3O4S/c1-2-26-10-8-12(9-11-26)31(29,30)19-13(21)6-7-16(18(19)27)25-20(28)24-15-5-3-4-14(23)17(15)22/h3-7,12,27H,2,8-11H2,1H3,(H2,24,25,28)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50182253
PNG
(CHEMBL3818179)
Show SMILES CN1CC[C@@H](C1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O |r|
Show InChI InChI=1/C18H18Cl3N3O4S/c1-24-8-7-10(9-24)29(27,28)17-12(20)5-6-14(16(17)25)23-18(26)22-13-4-2-3-11(19)15(13)21/h2-6,10,25H,7-9H2,1H3,(H2,22,23,26)/t10-/s2
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50182251
PNG
(CHEMBL3819512)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C19H20Cl2FN3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-12(20)5-6-15(17(18)26)24-19(27)23-14-4-2-3-13(22)16(14)21/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50182253
PNG
(CHEMBL3818179)
Show SMILES CN1CC[C@@H](C1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O |r|
Show InChI InChI=1/C18H18Cl3N3O4S/c1-24-8-7-10(9-24)29(27,28)17-12(20)5-6-14(16(17)25)23-18(26)22-13-4-2-3-11(19)15(13)21/h2-6,10,25H,7-9H2,1H3,(H2,22,23,26)/t10-/s2
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50182253
PNG
(CHEMBL3818179)
Show SMILES CN1CC[C@@H](C1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O |r|
Show InChI InChI=1/C18H18Cl3N3O4S/c1-24-8-7-10(9-24)29(27,28)17-12(20)5-6-14(16(17)25)23-18(26)22-13-4-2-3-11(19)15(13)21/h2-6,10,25H,7-9H2,1H3,(H2,22,23,26)/t10-/s2
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n/an/a<1.00E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50182252
PNG
(CHEMBL3818331)
Show SMILES CCN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C20H22Cl2FN3O4S/c1-2-26-10-8-12(9-11-26)31(29,30)19-13(21)6-7-16(18(19)27)25-20(28)24-15-5-3-4-14(23)17(15)22/h3-7,12,27H,2,8-11H2,1H3,(H2,24,25,28)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50182252
PNG
(CHEMBL3818331)
Show SMILES CCN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C20H22Cl2FN3O4S/c1-2-26-10-8-12(9-11-26)31(29,30)19-13(21)6-7-16(18(19)27)25-20(28)24-15-5-3-4-14(23)17(15)22/h3-7,12,27H,2,8-11H2,1H3,(H2,24,25,28)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50182251
PNG
(CHEMBL3819512)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C19H20Cl2FN3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-12(20)5-6-15(17(18)26)24-19(27)23-14-4-2-3-13(22)16(14)21/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50182250
PNG
(CHEMBL3819521)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C19H20Cl3N3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-13(21)5-6-15(17(18)26)24-19(27)23-14-4-2-3-12(20)16(14)22/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50182250
PNG
(CHEMBL3819521)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C19H20Cl3N3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-13(21)5-6-15(17(18)26)24-19(27)23-14-4-2-3-12(20)16(14)22/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50182250
PNG
(CHEMBL3819521)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C19H20Cl3N3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-13(21)5-6-15(17(18)26)24-19(27)23-14-4-2-3-12(20)16(14)22/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50182250
PNG
(CHEMBL3819521)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C19H20Cl3N3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-13(21)5-6-15(17(18)26)24-19(27)23-14-4-2-3-12(20)16(14)22/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50182252
PNG
(CHEMBL3818331)
Show SMILES CCN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C20H22Cl2FN3O4S/c1-2-26-10-8-12(9-11-26)31(29,30)19-13(21)6-7-16(18(19)27)25-20(28)24-15-5-3-4-14(23)17(15)22/h3-7,12,27H,2,8-11H2,1H3,(H2,24,25,28)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50182251
PNG
(CHEMBL3819512)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C19H20Cl2FN3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-12(20)5-6-15(17(18)26)24-19(27)23-14-4-2-3-13(22)16(14)21/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50182253
PNG
(CHEMBL3818179)
Show SMILES CN1CC[C@@H](C1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O |r|
Show InChI InChI=1/C18H18Cl3N3O4S/c1-24-8-7-10(9-24)29(27,28)17-12(20)5-6-14(16(17)25)23-18(26)22-13-4-2-3-11(19)15(13)21/h2-6,10,25H,7-9H2,1H3,(H2,22,23,26)/t10-/s2
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50182252
PNG
(CHEMBL3818331)
Show SMILES CCN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C20H22Cl2FN3O4S/c1-2-26-10-8-12(9-11-26)31(29,30)19-13(21)6-7-16(18(19)27)25-20(28)24-15-5-3-4-14(23)17(15)22/h3-7,12,27H,2,8-11H2,1H3,(H2,24,25,28)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50182261
PNG
(CHEMBL3817880)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O |r|
Show InChI InChI=1/C19H20Cl3N3O5S/c1-10-8-25(9-11(2)30-10)31(28,29)18-13(21)6-7-15(17(18)26)24-19(27)23-14-5-3-4-12(20)16(14)22/h3-7,10-11,26H,8-9H2,1-2H3,(H2,23,24,27)/t10-,11+
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n/an/a 1.58E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50182250
PNG
(CHEMBL3819521)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C19H20Cl3N3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-13(21)5-6-15(17(18)26)24-19(27)23-14-4-2-3-12(20)16(14)22/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)
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n/an/a<7.94E+4n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50182251
PNG
(CHEMBL3819512)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C19H20Cl2FN3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-12(20)5-6-15(17(18)26)24-19(27)23-14-4-2-3-13(22)16(14)21/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)
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n/an/a<1.00E+5n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50182252
PNG
(CHEMBL3818331)
Show SMILES CCN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C20H22Cl2FN3O4S/c1-2-26-10-8-12(9-11-26)31(29,30)19-13(21)6-7-16(18(19)27)25-20(28)24-15-5-3-4-14(23)17(15)22/h3-7,12,27H,2,8-11H2,1H3,(H2,24,25,28)
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Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


ACS Med Chem Lett 7: 397-402 (2016)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%