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Patent code US8980938

Compile Data Set for Download or QSAR
Found 7 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
C-X-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM150261
PNG
(US8980938, 8)
Show SMILES CC(C)(NC(=O)c1ccc2ccsc2c1OCCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H23NO4S/c1-22(2,21(25)26)23-20(24)17-11-10-16-12-14-28-19(16)18(17)27-13-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-12,14H,6,9,13H2,1-2H3,(H,23,24)(H,25,26)
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US Patent
n/an/a 600n/an/an/an/an/a37



Sanofi

US Patent


Assay Description
The assay is based on the detection of intracellular calcium changes detected by the selective, calcium-chelating dye, Fluo-4 (Molecular Probes). A l...

US Patent US8980938 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JMK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM150262
PNG
(US8980938, 11)
Show SMILES CC(C)(NC(=O)c1ccc2ccsc2c1OCCOc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C21H20FNO5S/c1-21(2,20(25)26)23-19(24)16-8-3-13-9-12-29-18(13)17(16)28-11-10-27-15-6-4-14(22)5-7-15/h3-9,12H,10-11H2,1-2H3,(H,23,24)(H,25,26)
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US Patent
n/an/a 800n/an/an/an/an/a37



Sanofi

US Patent


Assay Description
The assay is based on the detection of intracellular calcium changes detected by the selective, calcium-chelating dye, Fluo-4 (Molecular Probes). A l...

US Patent US8980938 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JMK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM150258
PNG
(US8980938, 3)
Show SMILES CC(C)(NC(=O)c1ccc2CCCCc2c1OCCOc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H27NO5/c1-23(2,22(26)27)24-21(25)19-13-12-16-8-6-7-11-18(16)20(19)29-15-14-28-17-9-4-3-5-10-17/h3-5,9-10,12-13H,6-8,11,14-15H2,1-2H3,(H,24,25)(H,26,27)
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US Patent
n/an/a 1.00E+3n/an/an/an/an/a37



Sanofi

US Patent


Assay Description
The assay is based on the detection of intracellular calcium changes detected by the selective, calcium-chelating dye, Fluo-4 (Molecular Probes). A l...

US Patent US8980938 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JMK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM150257
PNG
(US8980938, 2)
Show SMILES CC(C)(NC(=O)c1ccc2CCCCc2c1OCCC1CCCCC1)C(O)=O
Show InChI InChI=1S/C23H33NO4/c1-23(2,22(26)27)24-21(25)19-13-12-17-10-6-7-11-18(17)20(19)28-15-14-16-8-4-3-5-9-16/h12-13,16H,3-11,14-15H2,1-2H3,(H,24,25)(H,26,27)
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n/an/a 1.40E+3n/an/an/an/an/a37



Sanofi

US Patent


Assay Description
The assay is based on the detection of intracellular calcium changes detected by the selective, calcium-chelating dye, Fluo-4 (Molecular Probes). A l...

US Patent US8980938 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JMK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM150263
PNG
(US8980938, 12)
Show SMILES CC(C)(NC(=O)c1ccc2sccc2c1OCCOc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H21NO5S/c1-21(2,20(24)25)22-19(23)16-8-9-17-15(10-13-28-17)18(16)27-12-11-26-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,22,23)(H,24,25)
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US Patent
n/an/a 1.70E+3n/an/an/an/an/a37



Sanofi

US Patent


Assay Description
The assay is based on the detection of intracellular calcium changes detected by the selective, calcium-chelating dye, Fluo-4 (Molecular Probes). A l...

US Patent US8980938 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JMK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM150259
PNG
(US8980938, 5)
Show SMILES CC(C)(NC(=O)c1ccc2CCCCc2c1OCCCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H31NO4/c1-25(2,24(28)29)26-23(27)21-16-15-19-13-6-7-14-20(19)22(21)30-17-9-8-12-18-10-4-3-5-11-18/h3-5,10-11,15-16H,6-9,12-14,17H2,1-2H3,(H,26,27)(H,28,29)
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US Patent
n/an/a 2.00E+3n/an/an/an/an/a37



Sanofi

US Patent


Assay Description
The assay is based on the detection of intracellular calcium changes detected by the selective, calcium-chelating dye, Fluo-4 (Molecular Probes). A l...

US Patent US8980938 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JMK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM150260
PNG
(US8980938, 7)
Show SMILES CC(C)(NC(=O)c1ccc2CCCCc2c1OCCCOc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H29NO5/c1-24(2,23(27)28)25-22(26)20-14-13-17-9-6-7-12-19(17)21(20)30-16-8-15-29-18-10-4-3-5-11-18/h3-5,10-11,13-14H,6-9,12,15-16H2,1-2H3,(H,25,26)(H,27,28)
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US Patent
n/an/a 2.10E+3n/an/an/an/an/a37



Sanofi

US Patent


Assay Description
The assay is based on the detection of intracellular calcium changes detected by the selective, calcium-chelating dye, Fluo-4 (Molecular Probes). A l...

US Patent US8980938 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JMK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%