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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for monomerid = 150812   
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))
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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UniProtKB/SwissProt

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UniChem
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n/an/a 21n/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))
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 21n/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
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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US Patent
n/an/a 22n/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
Interleukin-8 receptors, CXCR1/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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US Patent
n/an/a 22n/an/an/an/an/an/a



Syntrix Biosystems, Inc.

US Patent




US Patent USRE47267 (2019)

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)
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 31n/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))
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)
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/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