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Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'wicomb' and Initial = 'wn'   
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
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50115286
PNG
(CHEMBL3609016)
Show SMILES OB(O)c1ccc(CN(Cc2ccco2)c2ccc(cn2)C(=O)Nc2ccc(F)cc2)nc1
Show InChI InChI=1S/C23H20BFN4O4/c25-18-5-8-19(9-6-18)28-23(30)16-3-10-22(27-12-16)29(15-21-2-1-11-33-21)14-20-7-4-17(13-26-20)24(31)32/h1-13,31-32H,14-15H2,(H,28,30)
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n/an/a 3.30n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50115227
PNG
(CHEMBL3609018)
Show SMILES OB(O)c1ccc(CN(Cc2ccccc2)c2ncc(cn2)C(=O)Nc2ccc(F)cc2)nc1
Show InChI InChI=1S/C24H21BFN5O3/c26-20-7-10-21(11-8-20)30-23(32)18-12-28-24(29-13-18)31(15-17-4-2-1-3-5-17)16-22-9-6-19(14-27-22)25(33)34/h1-14,33-34H,15-16H2,(H,30,32)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50115227
PNG
(CHEMBL3609018)
Show SMILES OB(O)c1ccc(CN(Cc2ccccc2)c2ncc(cn2)C(=O)Nc2ccc(F)cc2)nc1
Show InChI InChI=1S/C24H21BFN5O3/c26-20-7-10-21(11-8-20)30-23(32)18-12-28-24(29-13-18)31(15-17-4-2-1-3-5-17)16-22-9-6-19(14-27-22)25(33)34/h1-14,33-34H,15-16H2,(H,30,32)
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n/an/a 7n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150812
PNG
(US8981106, 2 (SX-576) | USRE47267, Compound 2)
Show SMILES OB(O)c1ccc(OC(F)(F)F)cc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H15BF4N2O4S/c22-14-2-4-15(5-3-14)27-19(28)12-1-8-18(26-10-12)32-11-13-9-16(31-20(23,24)25)6-7-17(13)21(29)30/h1-10,29-30H,11H2,(H,27,28)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50115286
PNG
(CHEMBL3609016)
Show SMILES OB(O)c1ccc(CN(Cc2ccco2)c2ccc(cn2)C(=O)Nc2ccc(F)cc2)nc1
Show InChI InChI=1S/C23H20BFN4O4/c25-18-5-8-19(9-6-18)28-23(30)16-3-10-22(27-12-16)29(15-21-2-1-11-33-21)14-20-7-4-17(13-26-20)24(31)32/h1-13,31-32H,14-15H2,(H,28,30)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150812
PNG
(US8981106, 2 (SX-576) | USRE47267, Compound 2)
Show SMILES OB(O)c1ccc(OC(F)(F)F)cc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H15BF4N2O4S/c22-14-2-4-15(5-3-14)27-19(28)12-1-8-18(26-10-12)32-11-13-9-16(31-20(23,24)25)6-7-17(13)21(29)30/h1-10,29-30H,11H2,(H,27,28)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Inhibition of CXCR2 (unknown origin) transfected with RBL cells


Bioorg Med Chem Lett 25: 2280-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.041
BindingDB Entry DOI: 10.7270/Q26Q200G
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50203012
PNG
(1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea ...)
Show SMILES Oc1cc(ccc1NC(=O)Nc1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C13H10BrN3O4/c14-9-3-1-2-4-10(9)15-13(19)16-11-6-5-8(17(20)21)7-12(11)18/h1-7,18H,(H2,15,16,19)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM150812
PNG
(US8981106, 2 (SX-576) | USRE47267, Compound 2)
Show SMILES OB(O)c1ccc(OC(F)(F)F)cc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H15BF4N2O4S/c22-14-2-4-15(5-3-14)27-19(28)12-1-8-18(26-10-12)32-11-13-9-16(31-20(23,24)25)6-7-17(13)21(29)30/h1-10,29-30H,11H2,(H,27,28)
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n/an/a 31n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Inhibition of CXCR1 (unknown origin) transfected with RBL cells


Bioorg Med Chem Lett 25: 2280-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.041
BindingDB Entry DOI: 10.7270/Q26Q200G
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM150812
PNG
(US8981106, 2 (SX-576) | USRE47267, Compound 2)
Show SMILES OB(O)c1ccc(OC(F)(F)F)cc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H15BF4N2O4S/c22-14-2-4-15(5-3-14)27-19(28)12-1-8-18(26-10-12)32-11-13-9-16(31-20(23,24)25)6-7-17(13)21(29)30/h1-10,29-30H,11H2,(H,27,28)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150811
PNG
(US8981106, 1 (SX-517) | USRE47267, Compound 1)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H16BFN2O3S/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,25-26H,12H2,(H,23,24)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50203012
PNG
(1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea ...)
Show SMILES Oc1cc(ccc1NC(=O)Nc1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C13H10BrN3O4/c14-9-3-1-2-4-10(9)15-13(19)16-11-6-5-8(17(20)21)7-12(11)18/h1-7,18H,(H2,15,16,19)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR2 expressed in HEK293 cells assessed as inhibition of CXCL8-induced intracellular Ca2+ release by fluorescence based...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150811
PNG
(US8981106, 1 (SX-517) | USRE47267, Compound 1)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H16BFN2O3S/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,25-26H,12H2,(H,23,24)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR2 expressed in HEK293 cells assessed as inhibition of CVCL8-induced [35S]GTPgammaS binding after 60 mins


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150966
PNG
(US8981106, 155 | USRE47267, Compound 155)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)N(Cc1ccccn1)c1ccc(F)cc1
Show InChI InChI=1S/C25H21BFN3O3S/c27-20-9-11-22(12-10-20)30(16-21-6-3-4-14-28-21)25(31)18-8-13-24(29-15-18)34-17-19-5-1-2-7-23(19)26(32)33/h1-15,32-33H,16-17H2
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50115215
PNG
(CHEMBL3609006)
Show SMILES CN(Cc1ccc(cn1)B(O)O)c1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H18BFN4O3/c1-25(12-17-6-3-14(11-22-17)20(27)28)18-9-2-13(10-23-18)19(26)24-16-7-4-15(21)5-8-16/h2-11,27-28H,12H2,1H3,(H,24,26)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150973
PNG
(US8981106, 163)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C19H17BN2O4S/c23-16-8-6-15(7-9-16)22-19(24)13-5-10-18(21-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,23,25-26H,12H2,(H,22,24)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50115210
PNG
(CHEMBL3609011)
Show SMILES CN(Cc1ccc(cc1)B(O)O)c1ncc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H18BFN4O3/c1-25(12-13-2-4-15(5-3-13)20(27)28)19-22-10-14(11-23-19)18(26)24-17-8-6-16(21)7-9-17/h2-11,27-28H,12H2,1H3,(H,24,26)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150812
PNG
(US8981106, 2 (SX-576) | USRE47267, Compound 2)
Show SMILES OB(O)c1ccc(OC(F)(F)F)cc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H15BF4N2O4S/c22-14-2-4-15(5-3-14)27-19(28)12-1-8-18(26-10-12)32-11-13-9-16(31-20(23,24)25)6-7-17(13)21(29)30/h1-10,29-30H,11H2,(H,27,28)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Inhibition of CXCR2 (unknown origin) expressed in PathHunter celline by beta-arrestin assay


Bioorg Med Chem Lett 25: 2280-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.041
BindingDB Entry DOI: 10.7270/Q26Q200G
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150837
PNG
(US8981106, 26 | USRE47267, Compound 26)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCc3ccccc3-c3nn[nH]n3)nc2)cc1
Show InChI InChI=1S/C20H15FN6OS/c21-15-6-8-16(9-7-15)23-20(28)13-5-10-18(22-11-13)29-12-14-3-1-2-4-17(14)19-24-26-27-25-19/h1-11H,12H2,(H,23,28)(H,24,25,26,27)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150811
PNG
(US8981106, 1 (SX-517) | USRE47267, Compound 1)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H16BFN2O3S/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,25-26H,12H2,(H,23,24)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR2 expressed in HEK293 cells assessed as inhibition of CXCL8-induced intracellular Ca2+ release by fluorescence based...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150827
PNG
(US8981106, 16)
Show SMILES CC1(C)OB(OC1(C)C)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C25H26BFN2O3S/c1-24(2)25(3,4)32-26(31-24)21-8-6-5-7-18(21)16-33-22-14-9-17(15-28-22)23(30)29-20-12-10-19(27)11-13-20/h5-15H,16H2,1-4H3,(H,29,30)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150822
PNG
(US8981106, 13 (SX-578) | USRE47267, Compound 13)
Show SMILES Oc1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H15FN2O2S/c20-15-6-8-16(9-7-15)22-19(24)13-5-10-18(21-11-13)25-12-14-3-1-2-4-17(14)23/h1-11,23H,12H2,(H,22,24)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150969
PNG
(US8981106, 159 | USRE47267, Compound 159)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H16BF3N2O4S/c22-20(23,24)30-16-8-6-15(7-9-16)26-19(27)13-5-10-18(25-11-13)31-12-14-3-1-2-4-17(14)21(28)29/h1-11,28-29H,12H2,(H,26,27)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150974
PNG
(US8981106, 164)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C18H15BFN3O3S/c20-14-6-7-16(21-10-14)23-18(24)12-5-8-17(22-9-12)27-11-13-3-1-2-4-15(13)19(25)26/h1-10,25-26H,11H2,(H,21,23,24)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50115368
PNG
(CHEMBL3609013)
Show SMILES OB(O)c1ccc(CN(Cc2ccccc2)c2ccc(cn2)C(=O)Nc2ccc(F)cc2)nc1
Show InChI InChI=1S/C25H22BFN4O3/c27-21-8-11-22(12-9-21)30-25(32)19-6-13-24(29-14-19)31(16-18-4-2-1-3-5-18)17-23-10-7-20(15-28-23)26(33)34/h1-15,33-34H,16-17H2,(H,30,32)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50115368
PNG
(CHEMBL3609013)
Show SMILES OB(O)c1ccc(CN(Cc2ccccc2)c2ccc(cn2)C(=O)Nc2ccc(F)cc2)nc1
Show InChI InChI=1S/C25H22BFN4O3/c27-21-8-11-22(12-9-21)30-25(32)19-6-13-24(29-14-19)31(16-18-4-2-1-3-5-18)17-23-10-7-20(15-28-23)26(33)34/h1-15,33-34H,16-17H2,(H,30,32)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150811
PNG
(US8981106, 1 (SX-517) | USRE47267, Compound 1)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H16BFN2O3S/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,25-26H,12H2,(H,23,24)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Inhibition of CXCR2 (unknown origin) transfected with RBL cells


Bioorg Med Chem Lett 25: 2280-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.041
BindingDB Entry DOI: 10.7270/Q26Q200G
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150821
PNG
(US8981106, 12)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCc3ccccc3)nc2)cc1
Show InChI InChI=1S/C19H15FN2OS/c20-16-7-9-17(10-8-16)22-19(23)15-6-11-18(21-12-15)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,23)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50115219
PNG
(CHEMBL3609003)
Show SMILES CN(Cc1cccc(c1)B(O)O)c1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H19BFN3O3/c1-25(13-14-3-2-4-16(11-14)21(27)28)19-10-5-15(12-23-19)20(26)24-18-8-6-17(22)7-9-18/h2-12,27-28H,13H2,1H3,(H,24,26)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50115224
PNG
(CHEMBL3609021)
Show SMILES OB(O)c1ccc(CN(Cc2ccco2)c2ncc(cn2)C(=O)Nc2ccc(F)cc2)nc1
Show InChI InChI=1S/C22H19BFN5O4/c24-17-4-7-18(8-5-17)28-21(30)15-10-26-22(27-11-15)29(14-20-2-1-9-33-20)13-19-6-3-16(12-25-19)23(31)32/h1-12,31-32H,13-14H2,(H,28,30)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150972
PNG
(US8981106, 162)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C18H16BN3O3S/c23-18(22-15-7-9-20-10-8-15)13-5-6-17(21-11-13)26-12-14-3-1-2-4-16(14)19(24)25/h1-11,24-25H,12H2,(H,20,22,23)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150887
PNG
(US8981106, 76)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCC3CCCO3)nc2)cc1
Show InChI InChI=1/C17H17FN2O2S/c18-13-4-6-14(7-5-13)20-17(21)12-3-8-16(19-10-12)23-11-15-2-1-9-22-15/h3-8,10,15H,1-2,9,11H2,(H,20,21)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50115220
PNG
(CHEMBL3609002)
Show SMILES OB(O)c1cccc(CNc2ccc(cn2)C(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C19H17BFN3O3/c21-16-5-7-17(8-6-16)24-19(25)14-4-9-18(23-12-14)22-11-13-2-1-3-15(10-13)20(26)27/h1-10,12,26-27H,11H2,(H,22,23)(H,24,25)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50115224
PNG
(CHEMBL3609021)
Show SMILES OB(O)c1ccc(CN(Cc2ccco2)c2ncc(cn2)C(=O)Nc2ccc(F)cc2)nc1
Show InChI InChI=1S/C22H19BFN5O4/c24-17-4-7-18(8-5-17)28-21(30)15-10-26-22(27-11-15)29(14-20-2-1-9-33-20)13-19-6-3-16(12-25-19)23(31)32/h1-12,31-32H,13-14H2,(H,28,30)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50115210
PNG
(CHEMBL3609011)
Show SMILES CN(Cc1ccc(cc1)B(O)O)c1ncc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H18BFN4O3/c1-25(12-13-2-4-15(5-3-13)20(27)28)19-22-10-14(11-23-19)18(26)24-17-8-6-16(21)7-9-17/h2-11,27-28H,12H2,1H3,(H,24,26)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150811
PNG
(US8981106, 1 (SX-517) | USRE47267, Compound 1)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H16BFN2O3S/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,25-26H,12H2,(H,23,24)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Inhibition of CXCR2 (unknown origin) expressed in PathHunter celline by beta-arrestin assay


Bioorg Med Chem Lett 25: 2280-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.041
BindingDB Entry DOI: 10.7270/Q26Q200G
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50115220
PNG
(CHEMBL3609002)
Show SMILES OB(O)c1cccc(CNc2ccc(cn2)C(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C19H17BFN3O3/c21-16-5-7-17(8-6-16)24-19(25)14-4-9-18(23-12-14)22-11-13-2-1-3-15(10-13)20(26)27/h1-10,12,26-27H,11H2,(H,22,23)(H,24,25)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150832
PNG
(US8981106, 21)
Show SMILES COC(=O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C21H17FN2O3S/c1-27-21(26)18-5-3-2-4-15(18)13-28-19-11-6-14(12-23-19)20(25)24-17-9-7-16(22)8-10-17/h2-12H,13H2,1H3,(H,24,25)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM150811
PNG
(US8981106, 1 (SX-517) | USRE47267, Compound 1)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H16BFN2O3S/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,25-26H,12H2,(H,23,24)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR1 expressed in HEK293 cells assessed as inhibition of CXCL8-induced intracellular Ca2+ release by fluorescence based...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150977
PNG
(US8981106, 157)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)N(Cc1ccncc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H21BFN3O3S/c27-21-6-8-22(9-7-21)30(16-18-11-13-28-14-12-18)25(31)19-5-10-24(29-15-19)34-17-20-3-1-2-4-23(20)26(32)33/h1-15,32-33H,16-17H2
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM150811
PNG
(US8981106, 1 (SX-517) | USRE47267, Compound 1)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H16BFN2O3S/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,25-26H,12H2,(H,23,24)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Inhibition of CXCR1 (unknown origin) transfected with RBL cells


Bioorg Med Chem Lett 25: 2280-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.041
BindingDB Entry DOI: 10.7270/Q26Q200G
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50115213
PNG
(CHEMBL3609008)
Show SMILES OB(O)c1cccc(CNc2ncc(cn2)C(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C18H16BFN4O3/c20-15-4-6-16(7-5-15)24-17(25)13-10-22-18(23-11-13)21-9-12-2-1-3-14(8-12)19(26)27/h1-8,10-11,26-27H,9H2,(H,24,25)(H,21,22,23)
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Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50115371
PNG
(CHEMBL3609012)
Show SMILES CN(Cc1ccc(cn1)B(O)O)c1ncc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C18H17BFN5O3/c1-25(11-16-5-2-13(10-21-16)19(27)28)18-22-8-12(9-23-18)17(26)24-15-6-3-14(20)4-7-15/h2-10,27-28H,11H2,1H3,(H,24,26)
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n/an/a 933n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50115217
PNG
(CHEMBL3609005)
Show SMILES CN(Cc1ccc(cc1)B(O)O)c1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H19BFN3O3/c1-25(13-14-2-5-16(6-3-14)21(27)28)19-11-4-15(12-23-19)20(26)24-18-9-7-17(22)8-10-18/h2-12,27-28H,13H2,1H3,(H,24,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50115213
PNG
(CHEMBL3609008)
Show SMILES OB(O)c1cccc(CNc2ncc(cn2)C(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C18H16BFN4O3/c20-15-4-6-16(7-5-15)24-17(25)13-10-22-18(23-11-13)21-9-12-2-1-3-14(8-12)19(26)27/h1-8,10-11,26-27H,9H2,(H,24,25)(H,21,22,23)
PDB

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n/an/a 1.34E+3n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50115217
PNG
(CHEMBL3609005)
Show SMILES CN(Cc1ccc(cc1)B(O)O)c1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H19BFN3O3/c1-25(13-14-2-5-16(6-3-14)21(27)28)19-11-4-15(12-23-19)20(26)24-18-9-7-17(22)8-10-18/h2-12,27-28H,13H2,1H3,(H,24,26)
PDB

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n/an/a 1.40E+3n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150835
PNG
(US8981106, 24)
Show SMILES OC(=O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H15FN2O3S/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11H,12H2,(H,23,24)(H,25,26)
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n/an/a 1.48E+3n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM150838
PNG
(US8981106, 27)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCc3ccc(Cl)c(Cl)c3)nc2)cc1
Show InChI InChI=1S/C19H13Cl2FN2OS/c20-16-7-1-12(9-17(16)21)11-26-18-8-2-13(10-23-18)19(25)24-15-5-3-14(22)4-6-15/h1-10H,11H2,(H,24,25)
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n/an/a 1.61E+3n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50115211
PNG
(CHEMBL3609010)
Show SMILES OB(O)c1ccc(CNc2ncc(cn2)C(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H16BFN4O3/c20-15-5-7-16(8-6-15)24-17(25)13-10-22-18(23-11-13)21-9-12-1-3-14(4-2-12)19(26)27/h1-8,10-11,26-27H,9H2,(H,24,25)(H,21,22,23)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50115371
PNG
(CHEMBL3609012)
Show SMILES CN(Cc1ccc(cn1)B(O)O)c1ncc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C18H17BFN5O3/c1-25(11-16-5-2-13(10-21-16)19(27)28)18-22-8-12(9-23-18)17(26)24-15-6-3-14(20)4-7-15/h2-10,27-28H,11H2,1H3,(H,24,26)
PDB

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n/an/a 1.70E+3n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50115215
PNG
(CHEMBL3609006)
Show SMILES CN(Cc1ccc(cn1)B(O)O)c1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H18BFN4O3/c1-25(12-17-6-3-14(11-22-17)20(27)28)18-9-2-13(10-23-18)19(26)24-16-7-4-15(21)5-8-16/h2-11,27-28H,12H2,1H3,(H,24,26)
PDB

UniProtKB/SwissProt

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n/an/a 1.70E+3n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)


BindingDB Entry DOI: 10.7270/Q2V989VF
More data for this
Ligand-Target Pair
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