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BDBM313786 US10167292, Example 30

SMILES: Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(CCN4CCOCC4)ccc3-c12

InChI Key: InChIKey=RMYAWBAFOLVCAK-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 313786   
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 2 Bromo 1 domain(BRD2 BD1)


(Homo sapiens (Human))
BDBM313786
PNG
(US10167292, Example 30)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(CCN4CCOCC4)ccc3-c12
Show InChI InChI=1S/C23H26ClN5O/c1-17-23-21-7-2-18(8-9-27-12-14-30-15-13-27)16-22(21)28(10-11-29(23)26-25-17)20-5-3-19(24)4-6-20/h2-7,16H,8-15H2,1H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM313786
PNG
(US10167292, Example 30)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(CCN4CCOCC4)ccc3-c12
Show InChI InChI=1S/C23H26ClN5O/c1-17-23-21-7-2-18(8-9-27-12-14-30-15-13-27)16-22(21)28(10-11-29(23)26-25-17)20-5-3-19(24)4-6-20/h2-7,16H,8-15H2,1H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 2 domain(BRD4 BD2)


(Homo sapiens (Human))
BDBM313786
PNG
(US10167292, Example 30)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(CCN4CCOCC4)ccc3-c12
Show InChI InChI=1S/C23H26ClN5O/c1-17-23-21-7-2-18(8-9-27-12-14-30-15-13-27)16-22(21)28(10-11-29(23)26-25-17)20-5-3-19(24)4-6-20/h2-7,16H,8-15H2,1H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM313786
PNG
(US10167292, Example 30)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(CCN4CCOCC4)ccc3-c12
Show InChI InChI=1S/C23H26ClN5O/c1-17-23-21-7-2-18(8-9-27-12-14-30-15-13-27)16-22(21)28(10-11-29(23)26-25-17)20-5-3-19(24)4-6-20/h2-7,16H,8-15H2,1H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 1 domain(BRD3 BD1)


(Homo sapiens (Human))
BDBM313786
PNG
(US10167292, Example 30)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(CCN4CCOCC4)ccc3-c12
Show InChI InChI=1S/C23H26ClN5O/c1-17-23-21-7-2-18(8-9-27-12-14-30-15-13-27)16-22(21)28(10-11-29(23)26-25-17)20-5-3-19(24)4-6-20/h2-7,16H,8-15H2,1H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Catalyst Therapeutics Pty Ltd.

US Patent


Assay Description
BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...


US Patent US10167292 (2019)

More data for this
Ligand-Target Pair