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SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 511481   
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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 17n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
PDB

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 955n/an/an/an/an/an/a


TBA

Assay Description
The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VD72M2
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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n/an/a 2.14E+4n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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n/an/a 5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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n/an/a 3.85E+4n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
Protein kinase C eta type


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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n/an/a 173n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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n/an/a 225n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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n/an/a 1.58E+3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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n/an/a 955n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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n/an/a 4.5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
Thymocyte selection-associated high mobility group box protein TOX


(Human)
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
PDB

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PC cid
PC sid
UniChem
n/an/a 1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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antibodypedia
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PC cid
PC sid
UniChem
n/an/a 39n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VD72M2
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VD72M2
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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TBA

Assay Description
The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VD72M2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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n/an/a 5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VD72M2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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n/an/a 4.09E+4n/an/an/an/an/an/a


TBA

Assay Description
The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VD72M2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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n/an/a 2.14E+4n/an/an/an/an/an/a


TBA

Assay Description
The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VD72M2
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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n/an/a 5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VD72M2
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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n/an/a 3.85E+4n/an/an/an/an/an/a


TBA

Assay Description
The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VD72M2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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n/an/a 173n/an/an/an/an/an/a


TBA

Assay Description
The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VD72M2
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 225n/an/an/an/an/an/a


TBA

Assay Description
The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VD72M2
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.58E+3n/an/an/an/an/an/a


TBA

Assay Description
The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VD72M2
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 25n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair