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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 441.4
BDBM291172
Wt: 523.5
BDBM291179
Wt: 489.6
BDBM291181
Wt: 489.9
BDBM291192
Wt: 399.4
BDBM291188
Wt: 539.6
BDBM291177
Wt: 439.4
BDBM236780
Wt: 439.4
BDBM236781
Wt: 435.4
BDBM236782
Wt: 469.4
BDBM236783
Wt: 385.4
BDBM236785
Wt: 523.5
BDBM236787
Wt: 513.5
BDBM236788
Wt: 455.5
BDBM236795
Wt: 513.5
BDBM291180
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 105 hits in this display   
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 (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM291172
PNG
(2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfuran-2-yl)...)
Show SMILES CNC(=O)c1cccc(NC2C(NC(c3ccc(C)o3)C3(C)CCCO3)C(=O)C2=O)c1O
Show InChI InChI=1S/C23H27N3O6/c1-12-8-9-15(32-12)21(23(2)10-5-11-31-23)26-17-16(19(28)20(17)29)25-14-7-4-6-13(18(14)27)22(30)24-3/h4,6-9,16-17,21,25-27H,5,10-11H2,1-3H3,(H,24,30)
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US Patent
n/an/a 1.30n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM291181
PNG
(6-chloro-2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfu...)
Show SMILES CN(C)S(=O)(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1C
Show InChI InChI=1S/C23H27N3O5S2/c1-13-10-11-16(31-13)19(17-8-6-12-32-17)25-21-20(22(27)23(21)28)24-15-7-5-9-18(14(15)2)33(29,30)26(3)4/h5,7,9-11,17,19,24-25H,6,8,12H2,1-4H3
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US Patent
n/an/a 1.60n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM291172
PNG
(2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfuran-2-yl)...)
Show SMILES CNC(=O)c1cccc(NC2C(NC(c3ccc(C)o3)C3(C)CCCO3)C(=O)C2=O)c1O
Show InChI InChI=1S/C23H27N3O6/c1-12-8-9-15(32-12)21(23(2)10-5-11-31-23)26-17-16(19(28)20(17)29)25-14-7-4-6-13(18(14)27)22(30)24-3/h4,6-9,16-17,21,25-27H,5,10-11H2,1-3H3,(H,24,30)
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n/an/a 2n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM291172
PNG
(2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfuran-2-yl)...)
Show SMILES CNC(=O)c1cccc(NC2C(NC(c3ccc(C)o3)C3(C)CCCO3)C(=O)C2=O)c1O
Show InChI InChI=1S/C23H27N3O6/c1-12-8-9-15(32-12)21(23(2)10-5-11-31-23)26-17-16(19(28)20(17)29)25-14-7-4-6-13(18(14)27)22(30)24-3/h4,6-9,16-17,21,25-27H,5,10-11H2,1-3H3,(H,24,30)
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n/an/a 2.20n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM236795
PNG
(US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM236795
PNG
(US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM236788
PNG
(US9388149, 19 | US9580412, Example 19)
Show SMILES COC(=O)CN(C)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C25H27N3O7S/c1-13-9-10-16(35-13)19(17-8-5-11-36-17)27-21-20(23(31)24(21)32)26-15-7-4-6-14(22(15)30)25(33)28(2)12-18(29)34-3/h4,6-7,9-10,17,19,26-27,30H,5,8,11-12H2,1-3H3/t17?,19-/m0/s1
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n/an/a 8.10n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM291177
PNG
(US9580412, Example 6 | US9580412, Example 7 | meth...)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C27H29N3O7S/c1-14-10-11-18(37-14)20(19-9-5-13-38-19)29-22-21(24(32)25(22)33)28-16-7-3-6-15(23(16)31)26(34)30-12-4-8-17(30)27(35)36-2/h3,6-7,10-11,17,19-20,28-29,31H,4-5,8-9,12-13H2,1-2H3/t17-,19?,20?/m1/s1
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n/an/a 9.70n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM236788
PNG
(US9388149, 19 | US9580412, Example 19)
Show SMILES COC(=O)CN(C)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C25H27N3O7S/c1-13-9-10-16(35-13)19(17-8-5-11-36-17)27-21-20(23(31)24(21)32)26-15-7-4-6-14(22(15)30)25(33)28(2)12-18(29)34-3/h4,6-7,9-10,17,19,26-27,30H,5,8,11-12H2,1-3H3/t17?,19-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM236787
PNG
(US9388149, 18 | US9580412, Example 18)
Show SMILES CN(CC(F)(F)F)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C24H24F3N3O5S/c1-12-8-9-15(35-12)17(16-7-4-10-36-16)29-19-18(21(32)22(19)33)28-14-6-3-5-13(20(14)31)23(34)30(2)11-24(25,26)27/h3,5-6,8-9,16-17,28-29,31H,4,7,10-11H2,1-2H3/t16?,17-/m0/s1
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n/an/a 15n/an/an/an/an/a37



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...


US Patent US9388149 (2016)


BindingDB Entry DOI: 10.7270/Q26W990K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM236795
PNG
(US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3
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n/an/a 15n/an/an/an/an/a37



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...


US Patent US9388149 (2016)


BindingDB Entry DOI: 10.7270/Q26W990K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM236795
PNG
(US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM236787
PNG
(US9388149, 18 | US9580412, Example 18)
Show SMILES CN(CC(F)(F)F)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C24H24F3N3O5S/c1-12-8-9-15(35-12)17(16-7-4-10-36-16)29-19-18(21(32)22(19)33)28-14-6-3-5-13(20(14)31)23(34)30(2)11-24(25,26)27/h3,5-6,8-9,16-17,28-29,31H,4,7,10-11H2,1-2H3/t16?,17-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM291181
PNG
(6-chloro-2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfu...)
Show SMILES CN(C)S(=O)(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1C
Show InChI InChI=1S/C23H27N3O5S2/c1-13-10-11-16(31-13)19(17-8-6-12-32-17)25-21-20(22(27)23(21)28)24-15-7-5-9-18(14(15)2)33(29,30)26(3)4/h5,7,9-11,17,19,24-25H,6,8,12H2,1-4H3
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n/an/a 16n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1


(Homo sapiens (Human))
BDBM291181
PNG
(6-chloro-2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfu...)
Show SMILES CN(C)S(=O)(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1C
Show InChI InChI=1S/C23H27N3O5S2/c1-13-10-11-16(31-13)19(17-8-6-12-32-17)25-21-20(22(27)23(21)28)24-15-7-5-9-18(14(15)2)33(29,30)26(3)4/h5,7,9-11,17,19,24-25H,6,8,12H2,1-4H3
PDB

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n/an/a 20n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM236788
PNG
(US9388149, 19 | US9580412, Example 19)
Show SMILES COC(=O)CN(C)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C25H27N3O7S/c1-13-9-10-16(35-13)19(17-8-5-11-36-17)27-21-20(23(31)24(21)32)26-15-7-4-6-14(22(15)30)25(33)28(2)12-18(29)34-3/h4,6-7,9-10,17,19,26-27,30H,5,8,11-12H2,1-3H3/t17?,19-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM236788
PNG
(US9388149, 19 | US9580412, Example 19)
Show SMILES COC(=O)CN(C)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C25H27N3O7S/c1-13-9-10-16(35-13)19(17-8-5-11-36-17)27-21-20(23(31)24(21)32)26-15-7-4-6-14(22(15)30)25(33)28(2)12-18(29)34-3/h4,6-7,9-10,17,19,26-27,30H,5,8,11-12H2,1-3H3/t17?,19-/m0/s1
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n/an/a 20n/an/an/an/an/a37



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...


US Patent US9388149 (2016)


BindingDB Entry DOI: 10.7270/Q26W990K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM236785
PNG
(US9388149, 16 | US9580412, Example 16)
Show SMILES Cc1ccc(o1)C(Nc1c(Nc2cccnc2O)c(=O)c1=O)C1CCCS1
Show InChI InChI=1S/C19H19N3O4S/c1-10-6-7-12(26-10)14(13-5-3-9-27-13)22-16-15(17(23)18(16)24)21-11-4-2-8-20-19(11)25/h2,4,6-8,13-14,21-22H,3,5,9H2,1H3,(H,20,25)
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n/an/a 23n/an/an/an/an/a37



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...


US Patent US9388149 (2016)


BindingDB Entry DOI: 10.7270/Q26W990K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM236785
PNG
(US9388149, 16 | US9580412, Example 16)
Show SMILES Cc1ccc(o1)C(Nc1c(Nc2cccnc2O)c(=O)c1=O)C1CCCS1
Show InChI InChI=1S/C19H19N3O4S/c1-10-6-7-12(26-10)14(13-5-3-9-27-13)22-16-15(17(23)18(16)24)21-11-4-2-8-20-19(11)25/h2,4,6-8,13-14,21-22H,3,5,9H2,1H3,(H,20,25)
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n/an/a 23n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM291177
PNG
(US9580412, Example 6 | US9580412, Example 7 | meth...)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C27H29N3O7S/c1-14-10-11-18(37-14)20(19-9-5-13-38-19)29-22-21(24(32)25(22)33)28-16-7-3-6-15(23(16)31)26(34)30-12-4-8-17(30)27(35)36-2/h3,6-7,10-11,17,19-20,28-29,31H,4-5,8-9,12-13H2,1-2H3/t17-,19?,20?/m1/s1
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n/an/a 30n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM236795
PNG
(US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3
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n/an/a 35n/an/an/an/an/a37



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...


US Patent US9388149 (2016)


BindingDB Entry DOI: 10.7270/Q26W990K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1


(Homo sapiens (Human))
BDBM236787
PNG
(US9388149, 18 | US9580412, Example 18)
Show SMILES CN(CC(F)(F)F)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C24H24F3N3O5S/c1-12-8-9-15(35-12)17(16-7-4-10-36-16)29-19-18(21(32)22(19)33)28-14-6-3-5-13(20(14)31)23(34)30(2)11-24(25,26)27/h3,5-6,8-9,16-17,28-29,31H,4,7,10-11H2,1-2H3/t16?,17-/m0/s1
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM236787
PNG
(US9388149, 18 | US9580412, Example 18)
Show SMILES CN(CC(F)(F)F)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C24H24F3N3O5S/c1-12-8-9-15(35-12)17(16-7-4-10-36-16)29-19-18(21(32)22(19)33)28-14-6-3-5-13(20(14)31)23(34)30(2)11-24(25,26)27/h3,5-6,8-9,16-17,28-29,31H,4,7,10-11H2,1-2H3/t16?,17-/m0/s1
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...


US Patent US9388149 (2016)


BindingDB Entry DOI: 10.7270/Q26W990K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM291177
PNG
(US9580412, Example 6 | US9580412, Example 7 | meth...)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C27H29N3O7S/c1-14-10-11-18(37-14)20(19-9-5-13-38-19)29-22-21(24(32)25(22)33)28-16-7-3-6-15(23(16)31)26(34)30-12-4-8-17(30)27(35)36-2/h3,6-7,10-11,17,19-20,28-29,31H,4-5,8-9,12-13H2,1-2H3/t17-,19?,20?/m1/s1
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM291181
PNG
(6-chloro-2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfu...)
Show SMILES CN(C)S(=O)(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1C
Show InChI InChI=1S/C23H27N3O5S2/c1-13-10-11-16(31-13)19(17-8-6-12-32-17)25-21-20(22(27)23(21)28)24-15-7-5-9-18(14(15)2)33(29,30)26(3)4/h5,7,9-11,17,19,24-25H,6,8,12H2,1-4H3
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n/an/a 39n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1


(Homo sapiens (Human))
BDBM236788
PNG
(US9388149, 19 | US9580412, Example 19)
Show SMILES COC(=O)CN(C)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C25H27N3O7S/c1-13-9-10-16(35-13)19(17-8-5-11-36-17)27-21-20(23(31)24(21)32)26-15-7-4-6-14(22(15)30)25(33)28(2)12-18(29)34-3/h4,6-7,9-10,17,19,26-27,30H,5,8,11-12H2,1-3H3/t17?,19-/m0/s1
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM236788
PNG
(US9388149, 19 | US9580412, Example 19)
Show SMILES COC(=O)CN(C)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C25H27N3O7S/c1-13-9-10-16(35-13)19(17-8-5-11-36-17)27-21-20(23(31)24(21)32)26-15-7-4-6-14(22(15)30)25(33)28(2)12-18(29)34-3/h4,6-7,9-10,17,19,26-27,30H,5,8,11-12H2,1-3H3/t17?,19-/m0/s1
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...


US Patent US9388149 (2016)


BindingDB Entry DOI: 10.7270/Q26W990K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM291188
PNG
(3-{[(5-methylfuran-2-yl)-(tetrahydrothiophen-2-yl)...)
Show SMILES Cc1ccc(o1)C(Nc1c(Nc2cccn(C)c2=O)c(=O)c1=O)C1CCCS1
Show InChI InChI=1S/C20H21N3O4S/c1-11-7-8-13(27-11)15(14-6-4-10-28-14)22-17-16(18(24)19(17)25)21-12-5-3-9-23(2)20(12)26/h3,5,7-9,14-15,21-22H,4,6,10H2,1-2H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM236795
PNG
(US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...


US Patent US9388149 (2016)


BindingDB Entry DOI: 10.7270/Q26W990K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM291179
PNG
(2-hydroxy-N-methyl-3-(2-{[(S)-(5-methylfuran-2-yl)...)
Show SMILES CN(CC(F)(F)F)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C24H24F3N3O5S/c1-12-8-9-15(35-12)17(16-7-4-10-36-16)29-19-18(21(32)22(19)33)28-14-6-3-5-13(20(14)31)23(34)30(2)11-24(25,26)27/h3,5-6,8-9,16-17,28-29,31H,4,7,10-11H2,1-2H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM236795
PNG
(US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3
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n/an/a 52n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM291172
PNG
(2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfuran-2-yl)...)
Show SMILES CNC(=O)c1cccc(NC2C(NC(c3ccc(C)o3)C3(C)CCCO3)C(=O)C2=O)c1O
Show InChI InChI=1S/C23H27N3O6/c1-12-8-9-15(32-12)21(23(2)10-5-11-31-23)26-17-16(19(28)20(17)29)25-14-7-4-6-13(18(14)27)22(30)24-3/h4,6-9,16-17,21,25-27H,5,10-11H2,1-3H3,(H,24,30)
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM291172
PNG
(2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfuran-2-yl)...)
Show SMILES CNC(=O)c1cccc(NC2C(NC(c3ccc(C)o3)C3(C)CCCO3)C(=O)C2=O)c1O
Show InChI InChI=1S/C23H27N3O6/c1-12-8-9-15(32-12)21(23(2)10-5-11-31-23)26-17-16(19(28)20(17)29)25-14-7-4-6-13(18(14)27)22(30)24-3/h4,6-9,16-17,21,25-27H,5,10-11H2,1-3H3,(H,24,30)
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM236795
PNG
(US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...


US Patent US9388149 (2016)


BindingDB Entry DOI: 10.7270/Q26W990K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM236787
PNG
(US9388149, 18 | US9580412, Example 18)
Show SMILES CN(CC(F)(F)F)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C24H24F3N3O5S/c1-12-8-9-15(35-12)17(16-7-4-10-36-16)29-19-18(21(32)22(19)33)28-14-6-3-5-13(20(14)31)23(34)30(2)11-24(25,26)27/h3,5-6,8-9,16-17,28-29,31H,4,7,10-11H2,1-2H3/t16?,17-/m0/s1
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM291192
PNG
((−)-6-chloro-2-hydroxy-N,N-dimethyl-3-(2-{[(...)
Show SMILES CN(C)C(=O)c1c(Cl)ccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C23H24ClN3O5S/c1-11-6-9-14(32-11)17(15-5-4-10-33-15)26-19-18(21(29)22(19)30)25-13-8-7-12(24)16(20(13)28)23(31)27(2)3/h6-9,15,17,25-26,28H,4-5,10H2,1-3H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM236795
PNG
(US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...


US Patent US9388149 (2016)


BindingDB Entry DOI: 10.7270/Q26W990K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1


(Homo sapiens (Human))
BDBM236795
PNG
(US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM291180
PNG
(US9580412, Example 9 | methyl {[2-hydroxy-3-(2-{[(...)
Show SMILES COC(=O)CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C25H27N3O7S/c1-13-9-10-16(35-13)19(17-8-5-11-36-17)27-21-20(23(31)24(21)32)26-15-7-4-6-14(22(15)30)25(33)28(2)12-18(29)34-3/h4,6-7,9-10,17,19,26-27,30H,5,8,11-12H2,1-3H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM236781
PNG
(US9388149, 12 | US9580412, Example 12)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC([C@@H]3CCCO3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C23H25N3O6/c1-12-9-10-16(32-12)17(15-8-5-11-31-15)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,15,17,24-25,27H,5,8,11H2,1-3H3/t15-,17?/m0/s1
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n/an/a 83n/an/an/an/an/a37



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...


US Patent US9388149 (2016)


BindingDB Entry DOI: 10.7270/Q26W990K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM236781
PNG
(US9388149, 12 | US9580412, Example 12)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC([C@@H]3CCCO3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C23H25N3O6/c1-12-9-10-16(32-12)17(15-8-5-11-31-15)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,15,17,24-25,27H,5,8,11H2,1-3H3/t15-,17?/m0/s1
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n/an/a 83n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1


(Homo sapiens (Human))
BDBM291179
PNG
(2-hydroxy-N-methyl-3-(2-{[(S)-(5-methylfuran-2-yl)...)
Show SMILES CN(CC(F)(F)F)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C24H24F3N3O5S/c1-12-8-9-15(35-12)17(16-7-4-10-36-16)29-19-18(21(32)22(19)33)28-14-6-3-5-13(20(14)31)23(34)30(2)11-24(25,26)27/h3,5-6,8-9,16-17,28-29,31H,4,7,10-11H2,1-2H3
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n/an/a 85n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM291177
PNG
(US9580412, Example 6 | US9580412, Example 7 | meth...)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C27H29N3O7S/c1-14-10-11-18(37-14)20(19-9-5-13-38-19)29-22-21(24(32)25(22)33)28-16-7-3-6-15(23(16)31)26(34)30-12-4-8-17(30)27(35)36-2/h3,6-7,10-11,17,19-20,28-29,31H,4-5,8-9,12-13H2,1-2H3/t17-,19?,20?/m1/s1
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1


(Homo sapiens (Human))
BDBM291180
PNG
(US9580412, Example 9 | methyl {[2-hydroxy-3-(2-{[(...)
Show SMILES COC(=O)CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C25H27N3O7S/c1-13-9-10-16(35-13)19(17-8-5-11-36-17)27-21-20(23(31)24(21)32)26-15-7-4-6-14(22(15)30)25(33)28(2)12-18(29)34-3/h4,6-7,9-10,17,19,26-27,30H,5,8,11-12H2,1-3H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM291181
PNG
(6-chloro-2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfu...)
Show SMILES CN(C)S(=O)(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1C
Show InChI InChI=1S/C23H27N3O5S2/c1-13-10-11-16(31-13)19(17-8-6-12-32-17)25-21-20(22(27)23(21)28)24-15-7-5-9-18(14(15)2)33(29,30)26(3)4/h5,7,9-11,17,19,24-25H,6,8,12H2,1-4H3
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n/an/a 93n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM236787
PNG
(US9388149, 18 | US9580412, Example 18)
Show SMILES CN(CC(F)(F)F)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C24H24F3N3O5S/c1-12-8-9-15(35-12)17(16-7-4-10-36-16)29-19-18(21(32)22(19)33)28-14-6-3-5-13(20(14)31)23(34)30(2)11-24(25,26)27/h3,5-6,8-9,16-17,28-29,31H,4,7,10-11H2,1-2H3/t16?,17-/m0/s1
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n/an/a 97n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1


(Homo sapiens (Human))
BDBM291177
PNG
(US9580412, Example 6 | US9580412, Example 7 | meth...)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C27H29N3O7S/c1-14-10-11-18(37-14)20(19-9-5-13-38-19)29-22-21(24(32)25(22)33)28-16-7-3-6-15(23(16)31)26(34)30-12-4-8-17(30)27(35)36-2/h3,6-7,10-11,17,19-20,28-29,31H,4-5,8-9,12-13H2,1-2H3/t17-,19?,20?/m1/s1
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1


(Homo sapiens (Human))
BDBM291192
PNG
((−)-6-chloro-2-hydroxy-N,N-dimethyl-3-(2-{[(...)
Show SMILES CN(C)C(=O)c1c(Cl)ccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C23H24ClN3O5S/c1-11-6-9-14(32-11)17(15-5-4-10-33-15)26-19-18(21(29)22(19)30)25-13-8-7-12(24)16(20(13)28)23(31)27(2)3/h6-9,15,17,25-26,28H,4-5,10H2,1-3H3
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n/an/a 113n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM291179
PNG
(2-hydroxy-N-methyl-3-(2-{[(S)-(5-methylfuran-2-yl)...)
Show SMILES CN(CC(F)(F)F)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C24H24F3N3O5S/c1-12-8-9-15(35-12)17(16-7-4-10-36-16)29-19-18(21(32)22(19)33)28-14-6-3-5-13(20(14)31)23(34)30(2)11-24(25,26)27/h3,5-6,8-9,16-17,28-29,31H,4,7,10-11H2,1-2H3
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GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM236795
PNG
(US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3
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n/an/a 134n/an/an/an/an/a37



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...


US Patent US9388149 (2016)


BindingDB Entry DOI: 10.7270/Q26W990K
More data for this
Ligand-Target Pair
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