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SMILES: CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1

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 10 hits for monomerid = 543629   
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
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM543629
PNG
(US11279703, TABLE 6.218 | US11279703, TABLE 6.263)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 128n/an/an/an/an/an/a


TBA

Assay Description
1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T43X8B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM543629
PNG
(US11279703, TABLE 6.218 | US11279703, TABLE 6.263)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T43X8B
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [342-460]


(Homo sapiens (Human))
BDBM543629
PNG
(US11279703, TABLE 6.218 | US11279703, TABLE 6.263)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 67.5n/an/an/an/an/an/a


TBA

Assay Description
1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T43X8B
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [91-163]


(Homo sapiens (Human))
BDBM543629
PNG
(US11279703, TABLE 6.218 | US11279703, TABLE 6.263)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 490n/an/an/an/an/an/a


TBA

Assay Description
1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T43X8B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM543629
PNG
(US11279703, TABLE 6.218 | US11279703, TABLE 6.263)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 188n/an/an/an/an/an/a


TBA

Assay Description
1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T43X8B
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein [22-138]


(Homo sapiens (Human))
BDBM543629
PNG
(US11279703, TABLE 6.218 | US11279703, TABLE 6.263)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 182n/an/an/an/an/an/a


TBA

Assay Description
1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T43X8B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM543629
PNG
(US11279703, TABLE 6.218 | US11279703, TABLE 6.263)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 972n/an/an/an/an/an/a


TBA

Assay Description
1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T43X8B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM543629
PNG
(US11279703, TABLE 6.218 | US11279703, TABLE 6.263)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 105n/an/an/an/an/an/a


TBA

Assay Description
1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T43X8B
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM543629
PNG
(US11279703, TABLE 6.218 | US11279703, TABLE 6.263)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 228n/an/an/an/an/an/a


TBA

Assay Description
1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T43X8B
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 [51-123]


(Homo sapiens (Human))
BDBM543629
PNG
(US11279703, TABLE 6.218 | US11279703, TABLE 6.263)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 109n/an/an/an/an/an/a


TBA

Assay Description
1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T43X8B
More data for this
Ligand-Target Pair