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BDBM150811 US8981106, 1 (SX-517)::USRE47267, Compound 1

SMILES: OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1

InChI Key: InChIKey=VZRIHFZJVIOJBE-UHFFFAOYSA-N

Data: 14 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 150811   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-X-C chemokine receptor type 2


(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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US Patent
n/an/a 38n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(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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n/an/a 38n/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
C-X-C chemokine receptor type 2


(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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n/an/a 210n/an/an/an/an/an/a



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
C-X-C chemokine receptor type 1


(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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n/an/a 880n/an/an/an/an/an/a



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
fMet-Leu-Phe receptor


(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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n/an/a>5.00E+3n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at fMLF receptor in human PMNs assessed as inhibition of fMLF-induced intracellular Ca2+ release by fluorescence based calcium fl...


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
Platelet activating factor receptor


(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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n/an/a>5.00E+3n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at platelet-activating factor receptor in human PMNs assessed as inhibition of PAF-induced intracellular Ca2+ release by fluoresc...


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
C-X-C chemokine receptor type 2


(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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n/an/a 38n/an/an/an/an/an/a



Syntrix Biosystems, Inc.

US Patent


Assay Description
The assay is a Ca2+ mobilization assay that measures changes in intracellular Ca2+ with a FlexStation II scanning fluorometer using a FLIPR-3 Calcium...


US Patent USRE47267 (2019)


BindingDB Entry DOI: 10.7270/Q2GF0WSH
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(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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n/an/a 60n/an/an/an/an/an/a



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
C-X-C chemokine receptor type 2


(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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n/an/a 730n/an/an/an/an/an/a



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
C-X-C chemokine receptor type 2


(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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n/an/a 356n/an/an/an/an/an/a



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
C-X-C chemokine receptor type 1


(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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n/an/a 903n/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
C-X-C chemokine receptor type 2


(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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n/an/a 38n/an/an/an/an/an/a



Syntrix Biosystems, Inc.

US Patent


Assay Description
The assay is a Ca2+ mobilization assay that measures changes in intracellular Ca2+ with a FlexStation II scanning fluorometer using a FLIPR-3 Calcium...


US Patent USRE47267 (2019)


BindingDB Entry DOI: 10.7270/Q2GF0WSH
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(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)
PDB

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n/an/a 38n/an/an/an/an/an/a



Syntrix Biosystems, Inc.

US Patent


Assay Description
The assay is a Ca2+ mobilization assay that measures changes in intracellular Ca2+ with a FlexStation II scanning fluorometer using a FLIPR-3 Calcium...


US Patent USRE47267 (2019)


BindingDB Entry DOI: 10.7270/Q2GF0WSH
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(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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n/an/a>5.00E+3n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at C5a receptor in human PMNs assessed as inhibition of C5a-induced intracellular Ca2+ release by fluorescence based calcium flux...


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