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Compile Data Set for Download or QSAR

Found 4 hits of ec50 for UniProtKB: P25025   
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))
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/an/an/a 1.25E+3n/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))
BDBM150824
PNG
(US8981106, 14 (SX-585) | USRE47267, Compound 14)
Show SMILES Oc1ccc(OC(F)(F)F)cc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H14F4N2O3S/c21-14-2-4-15(5-3-14)26-19(28)12-1-8-18(25-10-12)30-11-13-9-16(6-7-17(13)27)29-20(22,23)24/h1-10,27H,11H2,(H,26,28)
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US Patent
n/an/an/an/a 1.81E+3n/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))
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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n/an/an/an/a 2.40E+3n/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))
BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as induction of beta-arrest...


J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair