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BDBM313779 US10167292, Example 16

SMILES: C[C@@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12

InChI Key: InChIKey=ZZJIAOWVSKZQGQ-GFCCVEGCSA-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 = 313779   
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))
BDBM313779
PNG
(US10167292, Example 16)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12
Show InChI InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)17-6-4-3-5-16(17)18-13(2)20-21-23(12)18/h3-10,12H,11H2,1-2H3/t12-/m1/s1
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 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM313779
PNG
(US10167292, Example 16)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12
Show InChI InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)17-6-4-3-5-16(17)18-13(2)20-21-23(12)18/h3-10,12H,11H2,1-2H3/t12-/m1/s1
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))
BDBM313779
PNG
(US10167292, Example 16)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12
Show InChI InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)17-6-4-3-5-16(17)18-13(2)20-21-23(12)18/h3-10,12H,11H2,1-2H3/t12-/m1/s1
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))
BDBM313779
PNG
(US10167292, Example 16)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12
Show InChI InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)17-6-4-3-5-16(17)18-13(2)20-21-23(12)18/h3-10,12H,11H2,1-2H3/t12-/m1/s1
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))
BDBM313779
PNG
(US10167292, Example 16)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12
Show InChI InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)17-6-4-3-5-16(17)18-13(2)20-21-23(12)18/h3-10,12H,11H2,1-2H3/t12-/m1/s1
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