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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with Target = 'Interleukin-6' AND taxid = 9606   
Target
(Institution)
LigandTarget
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))
BDBM140013
PNG
(US8901310, Comparator C)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(CC[C@@H]3C[C@@](O)(CCC(F)(F)F)CC[C@@]23Cc2ccccc2)c1
Show InChI InChI=1S/C31H33F3N2O2/c1-21-27(8-5-17-35-21)36-28(37)24-10-12-26-23(18-24)9-11-25-20-29(38,14-16-31(32,33)34)13-15-30(25,26)19-22-6-3-2-4-7-22/h2-8,10,12,17-18,25,38H,9,11,13-16,19-20H2,1H3,(H,36,37)/t25-,29+,30+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140015
PNG
(US8901310, Comparator E)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(c1)C(=O)C[C@@H]1C[C@](O)(CC[C@@]21Cc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C29H27F3N2O3/c1-18-24(8-5-13-33-18)34-26(36)20-9-10-23-22(14-20)25(35)15-21-17-28(37,29(30,31)32)12-11-27(21,23)16-19-6-3-2-4-7-19/h2-10,13-14,21,37H,11-12,15-17H2,1H3,(H,34,36)/t21-,27+,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140014
PNG
(US8901310, Comparator D)
Show SMILES Cc1ccncc1NC(=O)c1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C(F)(F)F)c1
Show InChI InChI=1S/C29H29F3N2O2/c1-19-11-14-33-18-25(19)34-26(35)22-8-10-24-21(15-22)7-9-23-17-28(36,29(30,31)32)13-12-27(23,24)16-20-5-3-2-4-6-20/h2-6,8,10-11,14-15,18,23,36H,7,9,12-13,16-17H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140017
PNG
(US8901310, Comparator G)
Show SMILES Cc1c(NC(=O)c2ccc3c(CC[C@@H]4C[C@](O)(CC[C@@]34Cc3ccccc3)C(F)(F)F)c2)ccc[n+]1[O-]
Show InChI InChI=1S/C29H29F3N2O3/c1-19-25(8-5-15-34(19)37)33-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,33,35)/t23-,27+,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC sid
UniChem

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US Patent
n/an/a 2.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140019
PNG
(US8901310, Comparator I)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(C=C[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C(F)(F)F)c1
Show InChI InChI=1S/C29H27F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-12,15-16,23,36H,13-14,17-18H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 2.80n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140012
PNG
(US8901310, Comparator B)
Show SMILES Cc1cnc(NC(=O)c2ccc3c(CC[C@@H]4C[C@](O)(CC[C@@]34Cc3ccccc3)C(F)(F)F)c2)c(C)n1
Show InChI InChI=1S/C29H30F3N3O2/c1-18-17-33-25(19(2)34-18)35-26(36)22-9-11-24-21(14-22)8-10-23-16-28(37,29(30,31)32)13-12-27(23,24)15-20-6-4-3-5-7-20/h3-7,9,11,14,17,23,37H,8,10,12-13,15-16H2,1-2H3,(H,33,35,36)/t23-,27+,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
PDB
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CHEMBL
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KEGG
PC cid
PC sid
UniChem

Patents


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AffyNet 
US Patent
n/an/a 4.20n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140018
PNG
(US8901310, Comparator H)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C(F)F)c1
Show InChI InChI=1S/C29H30F2N2O2/c1-19-25(8-5-15-32-19)33-26(34)22-10-12-24-21(16-22)9-11-23-18-29(35,27(30)31)14-13-28(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,27,35H,9,11,13-14,17-18H2,1H3,(H,33,34)/t23-,28+,29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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US Patent
n/an/a 4.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140016
PNG
(US8901310, Comparator F)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(c1)[C@H](O)C[C@@H]1C[C@](O)(CC[C@@]21Cc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N2O3/c1-18-24(8-5-13-33-18)34-26(36)20-9-10-23-22(14-20)25(35)15-21-17-28(37,29(30,31)32)12-11-27(21,23)16-19-6-3-2-4-7-19/h2-10,13-14,21,25,35,37H,11-12,15-17H2,1H3,(H,34,36)/t21-,25-,27+,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC sid
UniChem

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AffyNet 
US Patent
n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140011
PNG
(US8901310, Comparator A)
Show SMILES Cc1ncccc1CNC(=O)c1ccc2c(CC[C@@H]3C[C@@](O)(CCC(F)(F)F)CC[C@@]23Cc2ccccc2)c1
Show InChI InChI=1S/C32H35F3N2O2/c1-22-26(8-5-17-36-22)21-37-29(38)25-10-12-28-24(18-25)9-11-27-20-30(39,14-16-32(33,34)35)13-15-31(27,28)19-23-6-3-2-4-7-23/h2-8,10,12,17-18,27,39H,9,11,13-16,19-21H2,1H3,(H,37,38)/t27-,30+,31+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
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US Patent
n/an/a>36.4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140010
PNG
(US8901310, Example 2)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(CC[C@@H]3C[C@@](CC[C@@]23Cc2ccccc2)(OP(O)(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C29H30F3N2O5P/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(29(30,31)32,39-40(36,37)38)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23H,9,11,13-14,17-18H2,1H3,(H,34,35)(H2,36,37,38)/t23-,27+,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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US Patent
n/an/a 60n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)

More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140020
PNG
(US8901310, Comparator J)
Show SMILES Cc1ncc(NC(=O)c2ccc3c(CC[C@@H]4C[C@@](O)(CCC(F)(F)F)CC[C@@]34Cc3ccccc3)c2)c(C)n1
Show InChI InChI=1S/C31H34F3N3O2/c1-20-27(19-35-21(2)36-20)37-28(38)24-9-11-26-23(16-24)8-10-25-18-29(39,13-15-31(32,33)34)12-14-30(25,26)17-22-6-4-3-5-7-22/h3-7,9,11,16,19,25,39H,8,10,12-15,17-18H2,1-2H3,(H,37,38)/t25-,29+,30+/m1/s1
PDB
MMDB

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UniChem

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US Patent
n/an/a 291n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)

More data for this
Ligand-Target Pair
Interleukin-6 receptor subunit beta


(Homo sapiens)
BDBM50145177
PNG
(CHEMBL3764956)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.48E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Interleukin-6 receptor subunit beta


(Homo sapiens)
BDBM50145193
PNG
(CHEMBL3765505)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Interleukin-6 receptor subunit beta


(Homo sapiens)
BDBM50145178
PNG
(CHEMBL3764721)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 6.38E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Interleukin-6 receptor subunit beta


(Homo sapiens)
BDBM50145189
PNG
(CHEMBL3764217)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 6.55E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Interleukin-6 receptor subunit beta


(Homo sapiens)
BDBM50145194
PNG
(CHEMBL3765178)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC sid
UniChem

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Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Interleukin-6 receptor subunit beta


(Homo sapiens)
BDBM50145192
PNG
(CHEMBL3765653)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 9.33E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Interleukin-6 receptor subunit beta


(Homo sapiens)
BDBM50145184
PNG
(CHEMBL3764562)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Interleukin-6 receptor subunit beta


(Homo sapiens)
BDBM50145181
PNG
(CHEMBL3765814)
PDB

UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Interleukin-6 receptor subunit beta


(Homo sapiens)
BDBM50145180
PNG
(CHEMBL3763273)
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem

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PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Interleukin-6 receptor subunit beta


(Homo sapiens)
BDBM50145179
PNG
(CHEMBL3764020)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Interleukin-6 receptor subunit beta


(Homo sapiens)
BDBM50145187
PNG
(CHEMBL3763533)
PDB

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Interleukin-6 receptor subunit beta


(Homo sapiens)
BDBM50145195
PNG
(CHEMBL3765143)
PDB

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 2.01E+4n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Interleukin-6 receptor subunit beta


(Homo sapiens)
BDBM50145176
PNG
((+)-Madindoline A | CHEMBL382330)
PDB

UniProtKB/SwissProt

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PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Interleukin-6 receptor subunit beta


(Homo sapiens)
BDBM50145196
PNG
(CHEMBL3765446)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Interleukin-6 receptor subunit beta


(Homo sapiens)
BDBM50145190
PNG
(CHEMBL3763626)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair