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Compile Data Set for Download or QSAR

Found 58 hits of ic50 for UniProtKB: P06702   
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
Protein S100-A9


(Homo sapiens (Human))
BDBM299079
PNG
(1-(3,5-dichlorophenyl)-N-[6-(ethanesulfonyl)-4-hyd...)
Show SMILES CCS(=O)(=O)c1cc(O)c(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)nn1
Show InChI InChI=1S/C13H13Cl2N3O5S2/c1-2-24(20,21)12-6-11(19)13(17-16-12)18-25(22,23)7-8-3-9(14)5-10(15)4-8/h3-6H,2,7H2,1H3,(H,16,19)(H,17,18)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 100n/an/an/an/an/an/a



Active Biotech AB

US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299058
PNG
(N-(6-chloro-4-hydroxypyridazin-3-yl)-1-(3,5-dichlo...)
Show SMILES Oc1cc(Cl)nnc1NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C11H8Cl3N3O3S/c12-7-1-6(2-8(13)3-7)5-21(19,20)17-11-9(18)4-10(14)15-16-11/h1-4H,5H2,(H,15,18)(H,16,17)
PDB

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n/an/a 100n/an/an/an/an/an/a



Active Biotech AB

US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299053
PNG
(N-(5-chloro-3-hydroxypyridin-2-yl)-1-(3,5-dichloro...)
Show SMILES Oc1cc(Cl)cnc1NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C12H9Cl3N2O3S/c13-8-1-7(2-9(14)3-8)6-21(19,20)17-12-11(18)4-10(15)5-16-12/h1-5,18H,6H2,(H,16,17)
PDB

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US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299086
PNG
(N-[5-(cyclopentanesulfonyl)-3-hydroxypyridin-2-yl]...)
Show SMILES Oc1cc(cnc1NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)S(=O)(=O)C1CCCC1
Show InChI InChI=1S/C17H18Cl2N2O5S2/c18-12-5-11(6-13(19)7-12)10-27(23,24)21-17-16(22)8-15(9-20-17)28(25,26)14-3-1-2-4-14/h5-9,14,22H,1-4,10H2,(H,20,21)
PDB

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US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299110
PNG
(N-(5-cyano-3-hydroxypyridin-2-yl)-1-(3,5-dichlorop...)
Show SMILES Oc1cc(cnc1NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C#N
Show InChI InChI=1S/C13H9Cl2N3O3S/c14-10-1-8(2-11(15)4-10)7-22(20,21)18-13-12(19)3-9(5-16)6-17-13/h1-4,6,19H,7H2,(H,17,18)
PDB

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US Patent
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US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299057
PNG
(1-(3,5-dichlorophenyl)-N-(3-hydroxy-5-methanesulfo...)
Show SMILES CS(=O)(=O)c1cnc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(O)c1
Show InChI InChI=1S/C13H12Cl2N2O5S2/c1-23(19,20)11-5-12(18)13(16-6-11)17-24(21,22)7-8-2-9(14)4-10(15)3-8/h2-6,18H,7H2,1H3,(H,16,17)
PDB

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US Patent
n/an/a 140n/an/an/an/an/an/a



Active Biotech AB

US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299093
PNG
(N-(2-chloro-5-hydroxypyrimidin-4-yl)-1-(3,5-dichlo...)
Show SMILES Oc1cnc(Cl)nc1NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C11H8Cl3N3O3S/c12-7-1-6(2-8(13)3-7)5-21(19,20)17-10-9(18)4-15-11(14)16-10/h1-4,18H,5H2,(H,15,16,17)
PDB

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US Patent
n/an/a 180n/an/an/an/an/an/a



Active Biotech AB

US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299067
PNG
(N-(5-bromo-3-hydroxypyrazin-2-yl)-1-(3,4-dichlorop...)
Show SMILES Oc1nc(Br)cnc1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H8BrCl2N3O3S/c12-9-4-15-10(11(18)16-9)17-21(19,20)5-6-1-2-7(13)8(14)3-6/h1-4H,5H2,(H,15,17)(H,16,18)
PDB

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US Patent
n/an/a 250n/an/an/an/an/an/a



Active Biotech AB

US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299072
PNG
(N-(6-chloro-4-hydroxypyridazin-3-yl)-1-(3-chloro-5...)
Show SMILES Oc1cc(Cl)nnc1NS(=O)(=O)Cc1cc(F)cc(Cl)c1
Show InChI InChI=1S/C11H8Cl2FN3O3S/c12-7-1-6(2-8(14)3-7)5-21(19,20)17-11-9(18)4-10(13)15-16-11/h1-4H,5H2,(H,15,18)(H,16,17)
PDB

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n/an/a 300n/an/an/an/an/an/a



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US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299085
PNG
(N-(5-chloro-6-cyano-3-hydroxypyridin-2-yl)-1-(3,5-...)
Show SMILES Oc1cc(Cl)c(nc1NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C#N
Show InChI InChI=1S/C13H8Cl3N3O3S/c14-8-1-7(2-9(15)3-8)6-23(21,22)19-13-12(20)4-10(16)11(5-17)18-13/h1-4,20H,6H2,(H,18,19)
PDB

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US Patent
n/an/a 390n/an/an/an/an/an/a



Active Biotech AB

US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299074
PNG
(N-(6-chloro-4-hydroxypyridazin-3-yl)-1-(3-chloroph...)
Show SMILES Oc1cc(Cl)nnc1NS(=O)(=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C11H9Cl2N3O3S/c12-8-3-1-2-7(4-8)6-20(18,19)16-11-9(17)5-10(13)14-15-11/h1-5H,6H2,(H,14,17)(H,15,16)
PDB

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US Patent
n/an/a 410n/an/an/an/an/an/a



Active Biotech AB

US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299080
PNG
(1-(3,5-dichlorophenyl)-N-(3-hydroxy-5-methanesulfo...)
Show SMILES CS(=O)(=O)c1cnc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(O)n1
Show InChI InChI=1S/C12H11Cl2N3O5S2/c1-23(19,20)10-5-15-11(12(18)16-10)17-24(21,22)6-7-2-8(13)4-9(14)3-7/h2-5H,6H2,1H3,(H,15,17)(H,16,18)
PDB

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n/an/a 420n/an/an/an/an/an/a



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US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299087
PNG
(N-(5-chloro-3-hydroxy-6-methanesulfonylpyridin-2-y...)
Show SMILES CS(=O)(=O)c1nc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(O)cc1Cl
Show InChI InChI=1S/C13H11Cl3N2O5S2/c1-24(20,21)13-10(16)5-11(19)12(17-13)18-25(22,23)6-7-2-8(14)4-9(15)3-7/h2-5,19H,6H2,1H3,(H,17,18)
PDB

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US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299073
PNG
(3,5-dichloro-N-(6-chloro-4-hydroxypyridazin-3-yl)b...)
Show SMILES Oc1cc(Cl)nnc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C10H6Cl3N3O3S/c11-5-1-6(12)3-7(2-5)20(18,19)16-10-8(17)4-9(13)14-15-10/h1-4H,(H,14,17)(H,15,16)
PDB

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n/an/a 700n/an/an/an/an/an/a



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US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299064
PNG
(N-(6-chloro-4-hydroxypyridin-3-yl)-1-(3,4-dichloro...)
Show SMILES Oc1cc(Cl)ncc1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H9Cl3N2O3S/c13-8-2-1-7(3-9(8)14)6-21(19,20)17-10-5-16-12(15)4-11(10)18/h1-5,17H,6H2,(H,16,18)
PDB

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US Patent
n/an/a 800n/an/an/an/an/an/a



Active Biotech AB

US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299069
PNG
(N-(6-chloro-4-hydroxypyridazin-3-yl)-1-(2-chloro-5...)
Show SMILES Oc1cc(Cl)nnc1NS(=O)(=O)Cc1cc(ccc1Cl)C#N
Show InChI InChI=1S/C12H8Cl2N4O3S/c13-9-2-1-7(5-15)3-8(9)6-22(20,21)18-12-10(19)4-11(14)16-17-12/h1-4H,6H2,(H,16,19)(H,17,18)
PDB

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US Patent
n/an/a 980n/an/an/an/an/an/a



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US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299070
PNG
(1-(3-chlorophenyl)-N-[5-(ethanesulfonyl)-3-hydroxy...)
Show SMILES CCS(=O)(=O)c1cnc(NS(=O)(=O)Cc2cccc(Cl)c2)c(O)n1
Show InChI InChI=1S/C13H14ClN3O5S2/c1-2-23(19,20)11-7-15-12(13(18)16-11)17-24(21,22)8-9-4-3-5-10(14)6-9/h3-7H,2,8H2,1H3,(H,15,17)(H,16,18)
PDB

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n/an/a>1.00E+3n/an/an/an/an/an/a



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US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299068
PNG
(N-(6-chloro-4-hydroxypyridazin-3-yl)-1-(3,4-difluo...)
Show SMILES Oc1cc(Cl)nnc1NS(=O)(=O)Cc1ccc(F)c(F)c1
Show InChI InChI=1S/C11H8ClF2N3O3S/c12-10-4-9(18)11(16-15-10)17-21(19,20)5-6-1-2-7(13)8(14)3-6/h1-4H,5H2,(H,15,18)(H,16,17)
PDB

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US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299060
PNG
(N-(5-chloro-3-hydroxypyridin-2-yl)-6-(trifluoromet...)
Show SMILES Oc1cc(Cl)cnc1NS(=O)(=O)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C11H7ClF3N3O3S/c12-6-3-8(19)10(17-4-6)18-22(20,21)7-1-2-9(16-5-7)11(13,14)15/h1-5,19H,(H,17,18)
PDB

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US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299056
PNG
(N-(5-chloro-3-hydroxypyridin-2-yl)-1-(2,5-dichloro...)
Show SMILES Oc1cc(Cl)cnc1NS(=O)(=O)Cc1cc(Cl)sc1Cl
Show InChI InChI=1S/C10H7Cl3N2O3S2/c11-6-2-7(16)10(14-3-6)15-20(17,18)4-5-1-8(12)19-9(5)13/h1-3,16H,4H2,(H,14,15)
PDB

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US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299054
PNG
(5-bromo-6-chloro-N-[3-hydroxy-5-(propan-2-yl)pyrid...)
Show SMILES CC(C)c1cnc(NS(=O)(=O)c2cnc(Cl)c(Br)c2)c(O)c1
Show InChI InChI=1S/C13H13BrClN3O3S/c1-7(2)8-3-11(19)13(17-5-8)18-22(20,21)9-4-10(14)12(15)16-6-9/h3-7,19H,1-2H3,(H,17,18)
PDB

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US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299109
PNG
(1-(3,5-dichlorophenyl)-N-[6-(ethanesulfonyl)-2-hyd...)
Show SMILES CCS(=O)(=O)c1ccc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(O)n1
Show InChI InChI=1S/C14H14Cl2N2O5S2/c1-2-24(20,21)13-4-3-12(14(19)17-13)18-25(22,23)8-9-5-10(15)7-11(16)6-9/h3-7,18H,2,8H2,1H3,(H,17,19)
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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299108
PNG
(N-(6-chloro-2-hydroxypyridin-3-yl)-1-[3-chloro-5-(...)
Show SMILES CCSc1cc(Cl)cc(CS(=O)(=O)Nc2ccc(Cl)nc2O)c1
Show InChI InChI=1S/C14H14Cl2N2O3S2/c1-2-22-11-6-9(5-10(15)7-11)8-23(20,21)18-12-3-4-13(16)17-14(12)19/h3-7,18H,2,8H2,1H3,(H,17,19)
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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299107
PNG
(N-(6-chloro-2-hydroxypyridin-3-yl)-1-[5-chloro-6-(...)
Show SMILES Oc1nc(Cl)ccc1NS(=O)(=O)Cc1cnc(N2CCCC2)c(Cl)c1
Show InChI InChI=1S/C15H16Cl2N4O3S/c16-11-7-10(8-18-14(11)21-5-1-2-6-21)9-25(23,24)20-12-3-4-13(17)19-15(12)22/h3-4,7-8,20H,1-2,5-6,9H2,(H,19,22)
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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299106
PNG
(N-(6-chloro-2-hydroxypyridin-3-yl)-1-(5-chloro-6-m...)
Show SMILES COc1ncc(CS(=O)(=O)Nc2ccc(Cl)nc2O)cc1Cl
Show InChI InChI=1S/C12H11Cl2N3O4S/c1-21-12-8(13)4-7(5-15-12)6-22(19,20)17-9-2-3-10(14)16-11(9)18/h2-5,17H,6H2,1H3,(H,16,18)
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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299105
PNG
(N-(6-chloro-2-hydroxypyridin-3-yl)-4-propylbenzene...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)nc1O
Show InChI InChI=1S/C14H15ClN2O3S/c1-2-3-10-4-6-11(7-5-10)21(19,20)17-12-8-9-13(15)16-14(12)18/h4-9,17H,2-3H2,1H3,(H,16,18)
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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299104
PNG
(N-(6-chloro-2-hydroxypyridin-3-yl)-1-[4-(trifluoro...)
Show SMILES Oc1nc(Cl)ccc1NS(=O)(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H10ClF3N2O3S/c14-11-6-5-10(12(20)18-11)19-23(21,22)7-8-1-3-9(4-2-8)13(15,16)17/h1-6,19H,7H2,(H,18,20)
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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299103
PNG
(N-(5,6-dichloro-2-hydroxypyridin-3-yl)-1-(3,5-dich...)
Show SMILES Oc1nc(Cl)c(Cl)cc1NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C12H8Cl4N2O3S/c13-7-1-6(2-8(14)3-7)5-22(20,21)18-10-4-9(15)11(16)17-12(10)19/h1-4,18H,5H2,(H,17,19)
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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299101
PNG
(3,5-dichloro-N-(2-chloro-3-hydroxypyridin-4-yl)ben...)
Show SMILES Oc1c(Cl)nccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C11H7Cl3N2O3S/c12-6-3-7(13)5-8(4-6)20(18,19)16-9-1-2-15-11(14)10(9)17/h1-5,17H,(H,15,16)
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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299100
PNG
(1-(3,5-dichlorophenyl)-N-(3-hydroxypyridin-4-yl)me...)
Show SMILES Oc1cnccc1NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C12H10Cl2N2O3S/c13-9-3-8(4-10(14)5-9)7-20(18,19)16-11-1-2-15-6-12(11)17/h1-6,17H,7H2,(H,15,16)
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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299099
PNG
(3-chloro-5-fluoro-N-[4-hydroxy-6-(trifluoromethyl)...)
Show SMILES Oc1cc(nnc1NS(=O)(=O)c1cc(F)cc(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C11H6ClF4N3O3S/c12-5-1-6(13)3-7(2-5)23(21,22)19-10-8(20)4-9(17-18-10)11(14,15)16/h1-4H,(H,17,20)(H,18,19)
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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299096
PNG
(1-(3,5-dichlorophenyl)-N-[5-hydroxy-2-(trifluorome...)
Show SMILES Oc1cnc(nc1NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C12H8Cl2F3N3O3S/c13-7-1-6(2-8(14)3-7)5-24(22,23)20-10-9(21)4-18-11(19-10)12(15,16)17/h1-4,21H,5H2,(H,18,19,20)
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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299095
PNG
(3,5-dichloro-N-(4-hydroxy-6-methanesulfonylpyridin...)
Show SMILES CS(=O)(=O)c1cc(O)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cn1
Show InChI InChI=1S/C12H10Cl2N2O5S2/c1-22(18,19)12-5-11(17)10(6-15-12)16-23(20,21)9-3-7(13)2-8(14)4-9/h2-6,16H,1H3,(H,15,17)
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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299094
PNG
(3,4-dichloro-N-(2-chloro-5-hydroxypyrimidin-4-yl)b...)
Show SMILES Oc1cnc(Cl)nc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H6Cl3N3O3S/c11-6-2-1-5(3-7(6)12)20(18,19)16-9-8(17)4-14-10(13)15-9/h1-4,17H,(H,14,15,16)
PDB

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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299092
PNG
((+/-)-N-(5-bromo-3-hydroxypyrazin-2-yl)-1-(3,5-dic...)
Show SMILES Oc1nc(Br)cnc1NS(=O)(=O)C(c1cc(Cl)cc(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C12H7BrCl2F3N3O3S/c13-8-4-19-10(11(22)20-8)21-25(23,24)9(12(16,17)18)5-1-6(14)3-7(15)2-5/h1-4,9H,(H,19,21)(H,20,22)
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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299091
PNG
(1-(3,5-dichlorophenyl)-N-[4-hydroxy-6-(3-hydroxypr...)
Show SMILES OCCCS(=O)(=O)c1cc(O)c(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)nn1
Show InChI InChI=1S/C14H15Cl2N3O6S2/c15-10-4-9(5-11(16)6-10)8-27(24,25)19-14-12(21)7-13(17-18-14)26(22,23)3-1-2-20/h4-7,20H,1-3,8H2,(H,17,21)(H,18,19)
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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299088
PNG
(N-(5-chloro-3-hydroxypyridin-2-yl)-6-(dimethylamin...)
Show SMILES CN(C)c1ncc(cc1S(C)(=O)=O)S(=O)(=O)Nc1ncc(Cl)cc1O
Show InChI InChI=1S/C13H15ClN4O5S2/c1-18(2)13-11(24(3,20)21)5-9(7-16-13)25(22,23)17-12-10(19)4-8(14)6-15-12/h4-7,19H,1-3H3,(H,15,17)
PDB

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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299083
PNG
(3-chloro-N-(5-chloro-4-hydroxypyridin-3-yl)-4-meth...)
Show SMILES COc1ccc(cc1Cl)S(=O)(=O)Nc1cncc(Cl)c1O
Show InChI InChI=1S/C12H10Cl2N2O4S/c1-20-11-3-2-7(4-8(11)13)21(18,19)16-10-6-15-5-9(14)12(10)17/h2-6,16H,1H3,(H,15,17)
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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299077
PNG
(N-(5-cyano-3-hydroxypyrazin-2-yl)-1-(3,5-dichlorop...)
Show SMILES Oc1nc(cnc1NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C#N
Show InChI InChI=1S/C12H8Cl2N4O3S/c13-8-1-7(2-9(14)3-8)6-22(20,21)18-11-12(19)17-10(4-15)5-16-11/h1-3,5H,6H2,(H,16,18)(H,17,19)
PDB

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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299082
PNG
(5-bromo-N-(6-chloro-4-hydroxypyridazin-3-yl)-6-met...)
Show SMILES COc1ncc(cc1Br)S(=O)(=O)Nc1nnc(Cl)cc1O
Show InChI InChI=1S/C10H8BrClN4O4S/c1-20-10-6(11)2-5(4-13-10)21(18,19)16-9-7(17)3-8(12)14-15-9/h2-4H,1H3,(H,14,17)(H,15,16)
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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299084
PNG
(N-(5-chloro-3-hydroxypyridin-2-yl)-1-(5-cyanothiop...)
Show SMILES Oc1cc(Cl)cnc1NS(=O)(=O)Cc1csc(c1)C#N
Show InChI InChI=1S/C11H8ClN3O3S2/c12-8-2-10(16)11(14-4-8)15-20(17,18)6-7-1-9(3-13)19-5-7/h1-2,4-5,16H,6H2,(H,14,15)
PDB

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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299065
PNG
(2,5-dichloro-N-(6-chloro-4-hydroxypyridin-3-yl)thi...)
Show SMILES Oc1cc(Cl)ncc1NS(=O)(=O)c1cc(Cl)sc1Cl
Show InChI InChI=1S/C9H5Cl3N2O3S2/c10-7-1-5(15)4(3-13-7)14-19(16,17)6-2-8(11)18-9(6)12/h1-3,14H,(H,13,15)
PDB

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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299089
PNG
(5-bromo-N-[4-hydroxy-6-(trifluoromethyl)pyridin-3-...)
Show SMILES COc1ncc(cc1Br)S(=O)(=O)Nc1cnc(cc1O)C(F)(F)F
Show InChI InChI=1S/C12H9BrF3N3O4S/c1-23-11-7(13)2-6(4-18-11)24(21,22)19-8-5-17-10(3-9(8)20)12(14,15)16/h2-5,19H,1H3,(H,17,20)
PDB

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Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299097
PNG
(3,5-dichloro-N-(3-hydroxy-5-methanesulfonylpyrazin...)
Show SMILES CS(=O)(=O)c1cnc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(O)n1
Show InChI InChI=1S/C11H9Cl2N3O5S2/c1-22(18,19)9-5-14-10(11(17)15-9)16-23(20,21)8-3-6(12)2-7(13)4-8/h2-5H,1H3,(H,14,16)(H,15,17)
PDB

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UniChem
US Patent
n/an/a 1.80E+3n/an/an/an/an/an/a



Active Biotech AB

US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299081
PNG
(2,5-dichloro-N-(6-chloro-4-hydroxypyridazin-3-yl)t...)
Show SMILES Oc1cc(Cl)nnc1NS(=O)(=O)c1cc(Cl)sc1Cl
Show InChI InChI=1S/C8H4Cl3N3O3S2/c9-5-1-3(15)8(13-12-5)14-19(16,17)4-2-6(10)18-7(4)11/h1-2H,(H,12,15)(H,13,14)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
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US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299071
PNG
(3,5-dichloro-N-(5-chloro-4-hydroxypyridin-3-yl)ben...)
Show SMILES Oc1c(Cl)cncc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C11H7Cl3N2O3S/c12-6-1-7(13)3-8(2-6)20(18,19)16-10-5-15-4-9(14)11(10)17/h1-5,16H,(H,15,17)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 2.10E+3n/an/an/an/an/an/a



Active Biotech AB

US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299076
PNG
(3-chloro-N-(5-chloro-4-hydroxypyridin-3-yl)-4-(tri...)
Show SMILES Oc1c(Cl)cncc1NS(=O)(=O)c1ccc(OC(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C12H7Cl2F3N2O4S/c13-7-3-6(1-2-10(7)23-12(15,16)17)24(21,22)19-9-5-18-4-8(14)11(9)20/h1-5,19H,(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
US Patent
n/an/a 2.20E+3n/an/an/an/an/an/a



Active Biotech AB

US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299066
PNG
(2,5-dichloro-N-(5-chloro-2-hydroxypyridin-3-yl)thi...)
Show SMILES Oc1ncc(Cl)cc1NS(=O)(=O)c1cc(Cl)sc1Cl
Show InChI InChI=1S/C9H5Cl3N2O3S2/c10-4-1-5(9(15)13-3-4)14-19(16,17)6-2-7(11)18-8(6)12/h1-3,14H,(H,13,15)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 2.60E+3n/an/an/an/an/an/a



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US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299061
PNG
(5-bromo-N-(5-chloro-4-hydroxypyridin-3-yl)-6-metho...)
Show SMILES COc1ncc(cc1Br)S(=O)(=O)Nc1cncc(Cl)c1O
Show InChI InChI=1S/C11H9BrClN3O4S/c1-20-11-7(12)2-6(3-15-11)21(18,19)16-9-5-14-4-8(13)10(9)17/h2-5,16H,1H3,(H,14,17)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.80E+3n/an/an/an/an/an/a



Active Biotech AB

US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
Protein S100-A9


(Homo sapiens (Human))
BDBM299059
PNG
(5-bromo-N-(5-chloro-3-hydroxypyridin-2-yl)pyridine...)
Show SMILES Oc1cc(Cl)cnc1NS(=O)(=O)c1cncc(Br)c1
Show InChI InChI=1S/C10H7BrClN3O3S/c11-6-1-8(5-13-3-6)19(17,18)15-10-9(16)2-7(12)4-14-10/h1-5,16H,(H,14,15)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Active Biotech AB

US Patent


Assay Description
Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solut...


US Patent US10125125 (2018)


BindingDB Entry DOI: 10.7270/Q2DV1MZB
More data for this
Ligand-Target Pair
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