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Patent code US10189796

Compile Data Set for Download or QSAR
Found 9 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
Interleukin-6


(Homo sapiens (Human))		BDBM331838
PNG
((R)-7-[4-(2-ethoxycarbonyl-2-hydroxyethyl)oxy-2-me...)
Show SMILES CCOC(=O)[C@H](O)COc1ccc(c(OC)c1)-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C31H35FN2O7/c1-7-39-29(36)25(35)17-40-20-10-11-22(27(15-20)38-6)21-12-13-24-28(34(5)30(37)31(3,4)33-24)23(21)16-41-26-14-19(32)9-8-18(26)2/h8-15,25,33,35H,7,16-17H2,1-6H3/t25-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...

US Patent US10189796 (2019)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))		BDBM331841
PNG
((S)-7-[4-(3-cyano-2-hydroxypropyl)oxy-2-methoxyphe...)
Show SMILES COc1cc(OC[C@@H](O)CC#N)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C30H32FN3O5/c1-18-6-7-19(31)14-26(18)39-17-24-22(10-11-25-28(24)34(4)29(36)30(2,3)33-25)23-9-8-21(15-27(23)37-5)38-16-20(35)12-13-32/h6-11,14-15,20,33,35H,12,16-17H2,1-5H3/t20-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...

US Patent US10189796 (2019)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))		BDBM331840
PNG
((R)-7-[4-(3-cyano-2-hydroxypropyl)oxy-2-methoxyphe...)
Show SMILES COc1cc(OC[C@H](O)CC#N)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C30H32FN3O5/c1-18-6-7-19(31)14-26(18)39-17-24-22(10-11-25-28(24)34(4)29(36)30(2,3)33-25)23-9-8-21(15-27(23)37-5)38-16-20(35)12-13-32/h6-11,14-15,20,33,35H,12,16-17H2,1-5H3/t20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...

US Patent US10189796 (2019)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))		BDBM331839
PNG
((S)-7-[4-(2,4-dihydroxybutyl)oxy-2-methoxyphenyl]-...)
Show SMILES COc1cc(OC[C@@H](O)CCO)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C30H35FN2O6/c1-18-6-7-19(31)14-26(18)39-17-24-22(10-11-25-28(24)33(4)29(36)30(2,3)32-25)23-9-8-21(15-27(23)37-5)38-16-20(35)12-13-34/h6-11,14-15,20,32,34-35H,12-13,16-17H2,1-5H3/t20-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...

US Patent US10189796 (2019)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))		BDBM331836
PNG
((S)-8-(5-fluoro-2-methylphenoxymethyl)-7-[4-(2-hyd...)
Show SMILES COc1cc(OC[C@H](C)O)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C29H33FN2O5/c1-17-7-8-19(30)13-25(17)37-16-23-21(11-12-24-27(23)32(5)28(34)29(3,4)31-24)22-10-9-20(14-26(22)35-6)36-15-18(2)33/h7-14,18,31,33H,15-16H2,1-6H3/t18-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 33n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...

US Patent US10189796 (2019)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))		BDBM331837
PNG
((R)-8-(5-fluoro-2-methylphenoxymethyl)-7-[4-(2-hyd...)
Show SMILES CC[C@@H](O)COc1ccc(c(OC)c1)-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C30H35FN2O5/c1-7-20(34)16-37-21-10-11-23(27(15-21)36-6)22-12-13-25-28(33(5)29(35)30(3,4)32-25)24(22)17-38-26-14-19(31)9-8-18(26)2/h8-15,20,32,34H,7,16-17H2,1-6H3/t20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 34n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...

US Patent US10189796 (2019)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))		BDBM331842
PNG
(7-[4-(3-t-butoxycarbonyl-2-hydroxypropyl)oxy-2-met...)
Show SMILES COc1cc(OCC(O)CC(=O)OC(C)(C)C)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C34H41FN2O7/c1-20-9-10-21(35)15-28(20)43-19-26-24(13-14-27-31(26)37(7)32(40)34(5,6)36-27)25-12-11-23(17-29(25)41-8)42-18-22(38)16-30(39)44-33(2,3)4/h9-15,17,22,36,38H,16,18-19H2,1-8H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 83n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...

US Patent US10189796 (2019)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))		BDBM331844
PNG
(8-(5-fluoro-2-methylphenoxymethyl)-7-(5-hydroxy-2-...)
Show SMILES COc1ccc(O)cc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C26H27FN2O4/c1-15-6-7-16(27)12-23(15)33-14-20-18(19-13-17(30)8-11-22(19)32-5)9-10-21-24(20)29(4)25(31)26(2,3)28-21/h6-13,28,30H,14H2,1-5H3
PDB
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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 93n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...

US Patent US10189796 (2019)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))		BDBM331843
PNG
(8-(5-fluoro-2-methylphenoxymethyl)-7-(5-hydroxymet...)
Show SMILES COc1ccc(CO)cc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C27H29FN2O4/c1-16-6-8-18(28)13-24(16)34-15-21-19(20-12-17(14-31)7-11-23(20)33-5)9-10-22-25(21)30(4)26(32)27(2,3)29-22/h6-13,29,31H,14-15H2,1-5H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 123n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...

US Patent US10189796 (2019)

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