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Patent code US10287278

Compile Data Set for Download or QSAR
Found 40 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))
BDBM385556
PNG
(US10287278, Example 18 | US10287278, Example 19)
Show SMILES CCC(CC)Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O
Show InChI InChI=1S/C17H23N3O4S/c1-5-10(6-2)19-13-14(17(23)16(13)22)20-11-8-7-9-12(15(11)21)25(4,24)18-3/h7-10,19-21H,5-6H2,1-4H3
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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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385542
PNG
(US10287278, Example 4)
Show SMILES CCC(CC)Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=O)=Nc2ccncc2)c(=O)c1=O
Show InChI InChI=1S/C21H23ClN4O4S/c1-4-12(5-2)24-16-17(20(29)19(16)28)25-15-7-6-14(22)21(18(15)27)31(3,30)26-13-8-10-23-11-9-13/h6-12,24-25,27H,4-5H2,1-3H3
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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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385546
PNG
(US10287278, Example 16 | US10287278, Example 17 | ...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C20H23N3O5S/c1-5-12(14-10-9-11(2)28-14)22-16-17(20(26)19(16)25)23-13-7-6-8-15(18(13)24)29(4,27)21-3/h6-10,12,22-24H,5H2,1-4H3/t12-,29?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385540
PNG
(3-{4-Chloro-2-hydroxy-3-methane[(N-methyl)sulfoxim...)
Show SMILES CC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C20H22ClN3O5S/c1-5-12(14-9-6-10(2)29-14)23-15-16(19(27)18(15)26)24-13-8-7-11(21)20(17(13)25)30(4,28)22-3/h6-9,12,23-25H,5H2,1-4H3/t12-,30?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385547
PNG
(US10287278, Example 9)
Show SMILES CC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=O)=NCCN(C)C)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C23H29ClN4O5S/c1-6-15(17-10-7-13(2)33-17)26-18-19(22(31)21(18)30)27-16-9-8-14(24)23(20(16)29)34(5,32)25-11-12-28(3)4/h7-10,15,26-27,29H,6,11-12H2,1-5H3/t15-,34?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385556
PNG
(US10287278, Example 18 | US10287278, Example 19)
Show SMILES CCC(CC)Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O
Show InChI InChI=1S/C17H23N3O4S/c1-5-10(6-2)19-13-14(17(23)16(13)22)20-11-8-7-9-12(15(11)21)25(4,24)18-3/h7-10,19-21H,5-6H2,1-4H3
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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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385546
PNG
(US10287278, Example 16 | US10287278, Example 17 | ...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C20H23N3O5S/c1-5-12(14-10-9-11(2)28-14)22-16-17(20(26)19(16)25)23-13-7-6-8-15(18(13)24)29(4,27)21-3/h6-10,12,22-24H,5H2,1-4H3/t12-,29?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385545
PNG
(US10287278, Example 7)
Show SMILES CN=S(C)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C15H14Cl2FN3O3S/c1-19-25(2,24)14-8(16)6-7-11(13(14)22)21-15(23)20-10-5-3-4-9(18)12(10)17/h3-7,22H,1-2H3,(H2,20,21,23)
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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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385552
PNG
(US10287278, Example 14 | US10287278, Example 15)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccccn1
Show InChI InChI=1S/C20H22N4O4S/c1-4-12(13-8-5-6-11-22-13)23-16-17(20(27)19(16)26)24-14-9-7-10-15(18(14)25)29(3,28)21-2/h5-12,23-25H,4H2,1-3H3/t12-,29?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385540
PNG
(3-{4-Chloro-2-hydroxy-3-methane[(N-methyl)sulfoxim...)
Show SMILES CC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C20H22ClN3O5S/c1-5-12(14-9-6-10(2)29-14)23-15-16(19(27)18(15)26)24-13-8-7-11(21)20(17(13)25)30(4,28)22-3/h6-9,12,23-25H,5H2,1-4H3/t12-,30?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385552
PNG
(US10287278, Example 14 | US10287278, Example 15)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccccn1
Show InChI InChI=1S/C20H22N4O4S/c1-4-12(13-8-5-6-11-22-13)23-16-17(20(27)19(16)26)24-14-9-7-10-15(18(14)25)29(3,28)21-2/h5-12,23-25H,4H2,1-3H3/t12-,29?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385549
PNG
(US10287278, Example 11)
Show SMILES CC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=O)=NCCOC)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C22H26ClN3O6S/c1-5-14(16-9-6-12(2)32-16)25-17-18(21(29)20(17)28)26-15-8-7-13(23)22(19(15)27)33(4,30)24-10-11-31-3/h6-9,14,25-27H,5,10-11H2,1-4H3/t14-,33?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385550
PNG
(US10287278, Example 12 | US10287278, Example 13)
Show SMILES CC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccccn1
Show InChI InChI=1S/C20H21ClN4O4S/c1-4-12(13-7-5-6-10-23-13)24-15-16(19(28)18(15)27)25-14-9-8-11(21)20(17(14)26)30(3,29)22-2/h5-10,12,24-26H,4H2,1-3H3/t12-,30?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385541
PNG
(US10287278, Example 3)
Show SMILES CC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=O)=Nc2ccncc2)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C24H23ClN4O5S/c1-4-16(18-8-5-13(2)34-18)27-19-20(23(32)22(19)31)28-17-7-6-15(25)24(21(17)30)35(3,33)29-14-9-11-26-12-10-14/h5-12,16,27-28,30H,4H2,1-3H3/t16-,35?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385544
PNG
(US10287278, Example 6)
Show SMILES CS(=N)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C14H12Cl2FN3O3S/c1-24(18,23)13-7(15)5-6-10(12(13)21)20-14(22)19-9-4-2-3-8(17)11(9)16/h2-6,18,21H,1H3,(H2,19,20,22)
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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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385550
PNG
(US10287278, Example 12 | US10287278, Example 13)
Show SMILES CC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccccn1
Show InChI InChI=1S/C20H21ClN4O4S/c1-4-12(13-7-5-6-10-23-13)24-15-16(19(28)18(15)27)25-14-9-8-11(21)20(17(14)26)30(3,29)22-2/h5-10,12,24-26H,4H2,1-3H3/t12-,30?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385543
PNG
(US10287278, Example 5)
Show SMILES CN=S(C)(=O)c1c(Cl)ccc(Nc2c(N[C@H]([C@H]3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C22H24ClN3O5S2/c1-11-6-9-14(31-11)16(15-5-4-10-32-15)26-18-17(20(28)21(18)29)25-13-8-7-12(23)22(19(13)27)33(3,30)24-2/h6-9,15-16,25-27H,4-5,10H2,1-3H3/t15-,16+,33?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385548
PNG
(US10287278, Example 10)
Show SMILES CCC(CC)Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=O)=NCCN(C)C)c(=O)c1=O
Show InChI InChI=1S/C20H29ClN4O4S/c1-6-12(7-2)23-15-16(19(28)18(15)27)24-14-9-8-13(21)20(17(14)26)30(5,29)22-10-11-25(3)4/h8-9,12,23-24,26H,6-7,10-11H2,1-5H3
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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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385539
PNG
(3-(4-Chloro-2-hydroxy-3-methanesulfoximinophenylam...)
Show SMILES CC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=N)=O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C19H20ClN3O5S/c1-4-11(13-8-5-9(2)28-13)22-14-15(18(26)17(14)25)23-12-7-6-10(20)19(16(12)24)29(3,21)27/h5-8,11,21-24H,4H2,1-3H3/t11-,29?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM385546
PNG
(US10287278, Example 16 | US10287278, Example 17 | ...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C20H23N3O5S/c1-5-12(14-10-9-11(2)28-14)22-16-17(20(26)19(16)25)23-13-7-6-8-15(18(13)24)29(4,27)21-3/h6-10,12,22-24H,5H2,1-4H3/t12-,29?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385550
PNG
(US10287278, Example 12 | US10287278, Example 13)
Show SMILES CC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccccn1
Show InChI InChI=1S/C20H21ClN4O4S/c1-4-12(13-7-5-6-10-23-13)24-15-16(19(28)18(15)27)25-14-9-8-11(21)20(17(14)26)30(3,29)22-2/h5-10,12,24-26H,4H2,1-3H3/t12-,30?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385547
PNG
(US10287278, Example 9)
Show SMILES CC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=O)=NCCN(C)C)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C23H29ClN4O5S/c1-6-15(17-10-7-13(2)33-17)26-18-19(22(31)21(18)30)27-16-9-8-14(24)23(20(16)29)34(5,32)25-11-12-28(3)4/h7-10,15,26-27,29H,6,11-12H2,1-5H3/t15-,34?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385546
PNG
(US10287278, Example 16 | US10287278, Example 17 | ...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C20H23N3O5S/c1-5-12(14-10-9-11(2)28-14)22-16-17(20(26)19(16)25)23-13-7-6-8-15(18(13)24)29(4,27)21-3/h6-10,12,22-24H,5H2,1-4H3/t12-,29?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385545
PNG
(US10287278, Example 7)
Show SMILES CN=S(C)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C15H14Cl2FN3O3S/c1-19-25(2,24)14-8(16)6-7-11(13(14)22)21-15(23)20-10-5-3-4-9(18)12(10)17/h3-7,22H,1-2H3,(H2,20,21,23)
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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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385542
PNG
(US10287278, Example 4)
Show SMILES CCC(CC)Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=O)=Nc2ccncc2)c(=O)c1=O
Show InChI InChI=1S/C21H23ClN4O4S/c1-4-12(5-2)24-16-17(20(29)19(16)28)25-15-7-6-14(22)21(18(15)27)31(3,30)26-13-8-10-23-11-9-13/h6-12,24-25,27H,4-5H2,1-3H3
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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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385552
PNG
(US10287278, Example 14 | US10287278, Example 15)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccccn1
Show InChI InChI=1S/C20H22N4O4S/c1-4-12(13-8-5-6-11-22-13)23-16-17(20(27)19(16)26)24-14-9-7-10-15(18(14)25)29(3,28)21-2/h5-12,23-25H,4H2,1-3H3/t12-,29?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385552
PNG
(US10287278, Example 14 | US10287278, Example 15)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccccn1
Show InChI InChI=1S/C20H22N4O4S/c1-4-12(13-8-5-6-11-22-13)23-16-17(20(27)19(16)26)24-14-9-7-10-15(18(14)25)29(3,28)21-2/h5-12,23-25H,4H2,1-3H3/t12-,29?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385548
PNG
(US10287278, Example 10)
Show SMILES CCC(CC)Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=O)=NCCN(C)C)c(=O)c1=O
Show InChI InChI=1S/C20H29ClN4O4S/c1-6-12(7-2)23-15-16(19(28)18(15)27)24-14-9-8-13(21)20(17(14)26)30(5,29)22-10-11-25(3)4/h8-9,12,23-24,26H,6-7,10-11H2,1-5H3
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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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385543
PNG
(US10287278, Example 5)
Show SMILES CN=S(C)(=O)c1c(Cl)ccc(Nc2c(N[C@H]([C@H]3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C22H24ClN3O5S2/c1-11-6-9-14(31-11)16(15-5-4-10-32-15)26-18-17(20(28)21(18)29)25-13-8-7-12(23)22(19(13)27)33(3,30)24-2/h6-9,15-16,25-27H,4-5,10H2,1-3H3/t15-,16+,33?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385539
PNG
(3-(4-Chloro-2-hydroxy-3-methanesulfoximinophenylam...)
Show SMILES CC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=N)=O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C19H20ClN3O5S/c1-4-11(13-8-5-9(2)28-13)22-14-15(18(26)17(14)25)23-12-7-6-10(20)19(16(12)24)29(3,21)27/h5-8,11,21-24H,4H2,1-3H3/t11-,29?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385556
PNG
(US10287278, Example 18 | US10287278, Example 19)
Show SMILES CCC(CC)Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O
Show InChI InChI=1S/C17H23N3O4S/c1-5-10(6-2)19-13-14(17(23)16(13)22)20-11-8-7-9-12(15(11)21)25(4,24)18-3/h7-10,19-21H,5-6H2,1-4H3
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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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385546
PNG
(US10287278, Example 16 | US10287278, Example 17 | ...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C20H23N3O5S/c1-5-12(14-10-9-11(2)28-14)22-16-17(20(26)19(16)25)23-13-7-6-8-15(18(13)24)29(4,27)21-3/h6-10,12,22-24H,5H2,1-4H3/t12-,29?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385550
PNG
(US10287278, Example 12 | US10287278, Example 13)
Show SMILES CC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccccn1
Show InChI InChI=1S/C20H21ClN4O4S/c1-4-12(13-7-5-6-10-23-13)24-15-16(19(28)18(15)27)25-14-9-8-11(21)20(17(14)26)30(3,29)22-2/h5-10,12,24-26H,4H2,1-3H3/t12-,30?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385541
PNG
(US10287278, Example 3)
Show SMILES CC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=O)=Nc2ccncc2)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C24H23ClN4O5S/c1-4-16(18-8-5-13(2)34-18)27-19-20(23(32)22(19)31)28-17-7-6-15(25)24(21(17)30)35(3,33)29-14-9-11-26-12-10-14/h5-12,16,27-28,30H,4H2,1-3H3/t16-,35?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385540
PNG
(3-{4-Chloro-2-hydroxy-3-methane[(N-methyl)sulfoxim...)
Show SMILES CC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C20H22ClN3O5S/c1-5-12(14-9-6-10(2)29-14)23-15-16(19(27)18(15)26)24-13-8-7-11(21)20(17(13)25)30(4,28)22-3/h6-9,12,23-25H,5H2,1-4H3/t12-,30?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385546
PNG
(US10287278, Example 16 | US10287278, Example 17 | ...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C20H23N3O5S/c1-5-12(14-10-9-11(2)28-14)22-16-17(20(26)19(16)25)23-13-7-6-8-15(18(13)24)29(4,27)21-3/h6-10,12,22-24H,5H2,1-4H3/t12-,29?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385544
PNG
(US10287278, Example 6)
Show SMILES CS(=N)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C14H12Cl2FN3O3S/c1-24(18,23)13-7(15)5-6-10(12(13)21)20-14(22)19-9-4-2-3-8(17)11(9)16/h2-6,18,21H,1H3,(H2,19,20,22)
PDB

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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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385540
PNG
(3-{4-Chloro-2-hydroxy-3-methane[(N-methyl)sulfoxim...)
Show SMILES CC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=O)=NC)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C20H22ClN3O5S/c1-5-12(14-9-6-10(2)29-14)23-15-16(19(27)18(15)26)24-13-8-7-11(21)20(17(13)25)30(4,28)22-3/h6-9,12,23-25H,5H2,1-4H3/t12-,30?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385556
PNG
(US10287278, Example 18 | US10287278, Example 19)
Show SMILES CCC(CC)Nc1c(Nc2cccc(c2O)S(C)(=O)=NC)c(=O)c1=O
Show InChI InChI=1S/C17H23N3O4S/c1-5-10(6-2)19-13-14(17(23)16(13)22)20-11-8-7-9-12(15(11)21)25(4,24)18-3/h7-10,19-21H,5-6H2,1-4H3
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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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM385549
PNG
(US10287278, Example 11)
Show SMILES CC[C@@H](Nc1c(Nc2ccc(Cl)c(c2O)S(C)(=O)=NCCOC)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C22H26ClN3O6S/c1-5-14(16-9-6-12(2)32-16)25-17-18(21(29)20(17)28)26-15-8-7-13(23)22(19(15)27)33(4,30)24-10-11-31-3/h6-9,14,25-27H,5,10-11H2,1-4H3/t14-,33?/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 is determined on a functional test of β-arrest...


US Patent US10287278 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%