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BDBM313793 US10167292, Example 37

SMILES: Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NCc1ccccc1

InChI Key: InChIKey=MRXGSXIGPZYETN-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 = 313793   
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))
BDBM313793
PNG
(US10167292, Example 37)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C25H22ClN5O/c1-17-24-22-12-7-19(25(32)27-16-18-5-3-2-4-6-18)15-23(22)30(13-14-31(24)29-28-17)21-10-8-20(26)9-11-21/h2-12,15H,13-14,16H2,1H3,(H,27,32)
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))
BDBM313793
PNG
(US10167292, Example 37)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C25H22ClN5O/c1-17-24-22-12-7-19(25(32)27-16-18-5-3-2-4-6-18)15-23(22)30(13-14-31(24)29-28-17)21-10-8-20(26)9-11-21/h2-12,15H,13-14,16H2,1H3,(H,27,32)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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))
BDBM313793
PNG
(US10167292, Example 37)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C25H22ClN5O/c1-17-24-22-12-7-19(25(32)27-16-18-5-3-2-4-6-18)15-23(22)30(13-14-31(24)29-28-17)21-10-8-20(26)9-11-21/h2-12,15H,13-14,16H2,1H3,(H,27,32)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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))
BDBM313793
PNG
(US10167292, Example 37)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C25H22ClN5O/c1-17-24-22-12-7-19(25(32)27-16-18-5-3-2-4-6-18)15-23(22)30(13-14-31(24)29-28-17)21-10-8-20(26)9-11-21/h2-12,15H,13-14,16H2,1H3,(H,27,32)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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))
BDBM313793
PNG
(US10167292, Example 37)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C25H22ClN5O/c1-17-24-22-12-7-19(25(32)27-16-18-5-3-2-4-6-18)15-23(22)30(13-14-31(24)29-28-17)21-10-8-20(26)9-11-21/h2-12,15H,13-14,16H2,1H3,(H,27,32)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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