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BDBM259893 US10308662, Compound 134::US9505780, 134

SMILES: CN(C)C(=O)Nc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1

InChI Key: InChIKey=GPNPALVNHJKMMZ-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 = 259893   
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 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM259893
PNG
(US10308662, Compound 134 | US9505780, 134)
Show SMILES CN(C)C(=O)Nc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H21N3O4S/c1-22(2)20(25)21-14-5-3-4-13(10-14)15-12-28-19-16(24)11-17(27-18(15)19)23-6-8-26-9-7-23/h3-5,10-12H,6-9H2,1-2H3,(H,21,25)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 662n/an/an/an/an/an/a



SignalRx Pharmaceuticals, Inc.

US Patent


Assay Description
Several TP Scaffold compounds were tested for inhibition activity against isoforms of PI3K (alpha, beta, gamma, and delta isoforms) and the bromodoma...


US Patent US9505780 (2016)


BindingDB Entry DOI: 10.7270/Q22B8WZ1
More data for this
Ligand-Target Pair
BRD4 bromodomain 2


(Homo sapiens (Human))
BDBM259893
PNG
(US10308662, Compound 134 | US9505780, 134)
Show SMILES CN(C)C(=O)Nc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H21N3O4S/c1-22(2)20(25)21-14-5-3-4-13(10-14)15-12-28-19-16(24)11-17(27-18(15)19)23-6-8-26-9-7-23/h3-5,10-12H,6-9H2,1-2H3,(H,21,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.85E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
BRD4 bromodomain 1


(Homo sapiens (Human))
BDBM259893
PNG
(US10308662, Compound 134 | US9505780, 134)
Show SMILES CN(C)C(=O)Nc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H21N3O4S/c1-22(2)20(25)21-14-5-3-4-13(10-14)15-12-28-19-16(24)11-17(27-18(15)19)23-6-8-26-9-7-23/h3-5,10-12H,6-9H2,1-2H3,(H,21,25)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 662n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 2 domain(BRD4 BD2)


(Homo sapiens (Human))
BDBM259893
PNG
(US10308662, Compound 134 | US9505780, 134)
Show SMILES CN(C)C(=O)Nc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H21N3O4S/c1-22(2)20(25)21-14-5-3-4-13(10-14)15-12-28-19-16(24)11-17(27-18(15)19)23-6-8-26-9-7-23/h3-5,10-12H,6-9H2,1-2H3,(H,21,25)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.85E+3n/an/an/an/an/an/a



SignalRx Pharmaceuticals, Inc.

US Patent


Assay Description
Several TP Scaffold compounds were tested for inhibition activity against isoforms of PI3K (alpha, beta, gamma, and delta isoforms) and the bromodoma...


US Patent US9505780 (2016)


BindingDB Entry DOI: 10.7270/Q22B8WZ1
More data for this
Ligand-Target Pair