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BDBM313801 US10167292, Example 45

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

InChI Key: InChIKey=VHRAOPOVGCSADO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 313801   
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))
BDBM313801
PNG
(US10167292, Example 45)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NOCCO
Show InChI InChI=1S/C20H20ClN5O3/c1-13-19-17-7-2-14(20(28)23-29-11-10-27)12-18(17)25(8-9-26(19)24-22-13)16-5-3-15(21)4-6-16/h2-7,12,27H,8-11H2,1H3,(H,23,28)
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))
BDBM313801
PNG
(US10167292, Example 45)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NOCCO
Show InChI InChI=1S/C20H20ClN5O3/c1-13-19-17-7-2-14(20(28)23-29-11-10-27)12-18(17)25(8-9-26(19)24-22-13)16-5-3-15(21)4-6-16/h2-7,12,27H,8-11H2,1H3,(H,23,28)
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))
BDBM313801
PNG
(US10167292, Example 45)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NOCCO
Show InChI InChI=1S/C20H20ClN5O3/c1-13-19-17-7-2-14(20(28)23-29-11-10-27)12-18(17)25(8-9-26(19)24-22-13)16-5-3-15(21)4-6-16/h2-7,12,27H,8-11H2,1H3,(H,23,28)
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))
BDBM313801
PNG
(US10167292, Example 45)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NOCCO
Show InChI InChI=1S/C20H20ClN5O3/c1-13-19-17-7-2-14(20(28)23-29-11-10-27)12-18(17)25(8-9-26(19)24-22-13)16-5-3-15(21)4-6-16/h2-7,12,27H,8-11H2,1H3,(H,23,28)
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