BindingDB logo
myBDB logout

BDBM249306 US9458145, 1020-104

SMILES: Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccn1)c1ccccn1

InChI Key: InChIKey=CMSUJGUHYXQSOK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 249306   
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 2 domain(BRD4 BD2)


(Homo sapiens (Human))
BDBM249306
PNG
(US9458145, 1020-104)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccn1)c1ccccn1
Show InChI InChI=1S/C26H23N5O2/c1-15-23(16(2)33-31-15)18-13-19(24-20(14-18)29-25(30-24)17-9-10-17)26(32,21-7-3-5-11-27-21)22-8-4-6-12-28-22/h3-8,11-14,17,32H,9-10H2,1-2H3,(H,29,30)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11.7n/an/an/an/a7.525



Gilead Sciences, Inc.

US Patent


Assay Description
The labeled ligand specifically binds BRD4-1 and BRD4-2 and can be displaced by a small molecule inhibitor that shares a similar or overlapping bindi...


US Patent US9458145 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W53
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM249306
PNG
(US9458145, 1020-104)
Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccn1)c1ccccn1
Show InChI InChI=1S/C26H23N5O2/c1-15-23(16(2)33-31-15)18-13-19(24-20(14-18)29-25(30-24)17-9-10-17)26(32,21-7-3-5-11-27-21)22-8-4-6-12-28-22/h3-8,11-14,17,32H,9-10H2,1-2H3,(H,29,30)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.20n/an/an/an/a7.525



Gilead Sciences, Inc.

US Patent


Assay Description
The labeled ligand specifically binds BRD4-1 and BRD4-2 and can be displaced by a small molecule inhibitor that shares a similar or overlapping bindi...


US Patent US9458145 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W53
More data for this
Ligand-Target Pair