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Compile Data Set for Download or QSAR

Found 214 hits with Last Name = 'yamazaki' and Initial = 'y'   
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
Tyrosinase


(Mus musculus (Mouse))
BDBM50414514
PNG
(PROTOCATECHUAMIDE)
Show SMILES NC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C7H7NO3/c8-7(11)4-1-2-5(9)6(10)3-4/h1-3,9-10H,(H2,8,11)
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3.70E+3n/an/an/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology

Curated by ChEMBL


Assay Description
Apparent noncompetitive inhibition of catecholase activity of tyrosinase in mouse B16 cells by Lineweaver-Burke plot analysis


Bioorg Med Chem Lett 19: 4178-82 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.115
BindingDB Entry DOI: 10.7270/Q2BR8S70
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50296245
PNG
(3,4-Dihydroxy-N-[2-(5-hydroxyindol-3-yl)ethyl]benz...)
Show SMILES Oc1ccc2[nH]cc(CCNC(=O)c3ccc(O)c(O)c3)c2c1
Show InChI InChI=1S/C17H16N2O4/c20-12-2-3-14-13(8-12)11(9-19-14)5-6-18-17(23)10-1-4-15(21)16(22)7-10/h1-4,7-9,19-22H,5-6H2,(H,18,23)
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6.40E+4n/an/an/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology

Curated by ChEMBL


Assay Description
Apparent noncompetitive inhibition of catecholase activity of tyrosinase in mouse B16 cells by Lineweaver-Burke plot analysis


Bioorg Med Chem Lett 19: 4178-82 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.115
BindingDB Entry DOI: 10.7270/Q2BR8S70
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM29612
PNG
(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
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PubMed
2.40E+5n/an/an/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology

Curated by ChEMBL


Assay Description
Apparent noncompetitive inhibition of catecholase activity of tyrosinase in mouse B16 cells by Lineweaver-Burke plot analysis


Bioorg Med Chem Lett 19: 4178-82 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.115
BindingDB Entry DOI: 10.7270/Q2BR8S70
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM414420
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 |r|
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-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...


US Patent US10435379 (2019)


BindingDB Entry DOI: 10.7270/Q2X350TP
More data for this
Ligand-Target Pair
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
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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)


BindingDB Entry DOI: 10.7270/Q21G0PBH
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527568
PNG
(US11186588, Example 26)
Show SMILES Cc1nnc2N(Cc3ccc(F)nc3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
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n/an/a 12.3n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
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
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n/an/a 13n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...


US Patent US10435379 (2019)


BindingDB Entry DOI: 10.7270/Q2X350TP
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
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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)


BindingDB Entry DOI: 10.7270/Q21G0PBH
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
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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)


BindingDB Entry DOI: 10.7270/Q21G0PBH
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
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n/an/a 14n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...


US Patent US10435379 (2019)


BindingDB Entry DOI: 10.7270/Q2X350TP
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
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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)


BindingDB Entry DOI: 10.7270/Q21G0PBH
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
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n/an/a 15n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...


US Patent US10435379 (2019)


BindingDB Entry DOI: 10.7270/Q2X350TP
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527554
PNG
(US11186588, Example 9)
Show SMILES Cc1nnc2N(Cc3cccc(F)c3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
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n/an/a 17.6n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527550
PNG
(US11186588, Example 5)
Show SMILES Cc1nnc2N(Cc3ccccn3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:14|
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n/an/a 27.5n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527563
PNG
(US11186588, Example 21 | US11186588, Example 22)
Show SMILES Cc1nnc2N(Cc3cccc(F)n3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
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n/an/a 30.3n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527557
PNG
(US11186588, Example 12)
Show SMILES Cc1sc-2c(c1C)C(=NN(Cc1cccc(C)c1)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|
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n/an/a 32.1n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
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
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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)


BindingDB Entry DOI: 10.7270/Q21G0PBH
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
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n/an/a 33n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...


US Patent US10435379 (2019)


BindingDB Entry DOI: 10.7270/Q2X350TP
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527563
PNG
(US11186588, Example 21 | US11186588, Example 22)
Show SMILES Cc1nnc2N(Cc3cccc(F)n3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
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n/an/a 33.6n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
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
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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)


BindingDB Entry DOI: 10.7270/Q21G0PBH
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
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n/an/a 34n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...


US Patent US10435379 (2019)


BindingDB Entry DOI: 10.7270/Q2X350TP
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527616
PNG
(US11186588, Example 92)
Show SMILES Cc1nnc2N(Cc3cccnc3)N=C(c3c(C)c(C)sc3-n12)c1ccc(N)cc1 |c:14|
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n/an/a 34.2n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527608
PNG
(US11186588, Example 81)
Show SMILES Cc1nnc2N(Cc3cccnc3N)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
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n/an/a 47.2n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527567
PNG
(US11186588, Example 25)
Show SMILES Cc1nnc2N(Cc3cccnc3F)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
PDB

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n/an/a 50.3n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527549
PNG
(US11186588, Example 3)
Show SMILES Cc1sc-2c(c1C)C(=NN(Cc1ccccc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|
PDB

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n/an/a 51.9n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527560
PNG
(US11186588, Example 16)
Show SMILES Cc1sc-2c(c1C)C(=NN(Cc1cccc(Cl)c1)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|
PDB

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n/an/a 77.5n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
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
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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)


BindingDB Entry DOI: 10.7270/Q21G0PBH
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
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n/an/a 83n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...


US Patent US10435379 (2019)


BindingDB Entry DOI: 10.7270/Q2X350TP
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527551
PNG
(US11186588, Example 6)
Show SMILES COc1cccc(CN2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)c1 |c:9|
PDB

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n/an/a 86.4n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527572
PNG
(US11186588, Example 33)
Show SMILES COc1cccc(CN2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccccc2)c1 |c:9|
PDB

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n/an/a 87.2n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
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
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n/an/a 93n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...


US Patent US10435379 (2019)


BindingDB Entry DOI: 10.7270/Q2X350TP
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
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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)


BindingDB Entry DOI: 10.7270/Q21G0PBH
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527610
PNG
(US11186588, Example 83 | US11186588, Example 86)
Show SMILES COC(=O)c1ncccc1CN1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |c:13|
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n/an/a 95.3n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527617
PNG
(N-(4-(2,3,9-trimethyl-6H-thieno[2,3-e][1,2,4]triaz...)
Show SMILES CC(=O)Nc1ccc(cc1)C1=NNc2nnc(C)n2-c2sc(C)c(C)c12 |t:11|
PDB

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n/an/a 96n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527553
PNG
(US11186588, Example 8)
Show SMILES Cc1nnc2N(Cc3ccccc3F)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
PDB

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n/an/a 104n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527575
PNG
(US11186588, Example 38)
Show SMILES Cc1nnc2N(Cc3cccnc3Cl)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
PDB

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n/an/a 106n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
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
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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)


BindingDB Entry DOI: 10.7270/Q21G0PBH
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
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n/an/a 123n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...


US Patent US10435379 (2019)


BindingDB Entry DOI: 10.7270/Q2X350TP
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527609
PNG
(US11186588, Example 82)
Show SMILES CC(=O)Nc1ncccc1CN1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |c:13|
PDB

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n/an/a 135n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527561
PNG
(US11186588, Example 18)
Show SMILES Cc1nnc2N(Cc3cccc(c3)C(F)(F)F)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:18|
PDB

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n/an/a 144n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527571
PNG
(US11186588, Example 31)
Show SMILES Cc1nnc2N(Cc3ccccn3)N=C(c3c(C)c(C)sc3-n12)c1ccccc1 |c:14|
PDB

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n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527565
PNG
(US11186588, Example 23)
Show SMILES Cc1nnc2N(Cc3ncccc3F)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
PDB

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n/an/a 158n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527555
PNG
(US11186588, Example 10)
Show SMILES Cc1sc-2c(c1C)C(=NN(Cc1ccccc1Cl)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|
PDB

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n/an/a 192n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527585
PNG
(US11186588, Example 49)
Show SMILES COc1ncccc1CN1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |c:11|
PDB

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n/an/a 197n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527558
PNG
(US11186588, Example 13)
Show SMILES Cc1sc-2c(c1C)C(=NN(Cc1ccc(C)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|
PDB

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n/an/a 233n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527601
PNG
(US11186588, Example 73)
Show SMILES Cc1sc(NC(=S)N(N)Cc2cccnc2)c(C(=O)c2cccc(Cl)c2)c1C
PDB

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n/an/a 246n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527587
PNG
(US11186588, Example 51)
Show SMILES COc1ccncc1CN1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |c:11|
PDB

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n/an/a 265n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527570
PNG
(US11186588, Example 29)
Show SMILES Cc1sc-2c(c1C)C(=NN(Cc1ccccc1)c1nnc(C)n-21)c1ccccc1 |c:8|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 265n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527559
PNG
(US11186588, Example 14)
Show SMILES Cc1nnc2N(Cc3ccc(cc3)C(F)(F)F)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:18|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 276n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527618
PNG
(US11186588, Example 103 | US11186588, Example 99)
Show SMILES COc1cncc(CNNC(=O)OC(C)(C)C)c1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 289n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
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