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BDBM362659 N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridin-2-yl-4,5-dihydroimidazo[1,5,4- de][1,4]benzoxazin-2-yl]piperidin-4- yl}ethanesulfonamide::US10227359, Example 14::US9834565, Example 14

SMILES: CCS(=O)(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23

InChI Key: InChIKey=SJGWGZCUULTQIO-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 = 362659   
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
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM362659
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CCS(=O)(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-5.87,7.44,;-5.1,6.11,;-3.56,6.11,;-3.56,7.65,;-3.56,4.57,;-2.02,6.11,;-1.25,4.78,;-2.02,3.44,;-1.25,2.11,;.29,2.11,;1.06,3.44,;.29,4.78,;1.06,.77,;2.6,.77,;3.16,-.66,;4.49,-1.43,;4.49,-2.97,;3.16,-3.74,;3.16,-5.28,;1.91,-6.18,;.45,-5.71,;2.39,-7.65,;3.93,-7.65,;4.41,-6.18,;5.87,-5.71,;1.83,-2.97,;.49,-3.74,;-.84,-2.97,;-.84,-1.43,;-2.17,-.66,;-3.51,-1.43,;-4.84,-.66,;-4.84,.88,;-3.51,1.65,;-2.17,.88,;.49,-.66,;1.83,-1.43,)|
Show InChI InChI=1S/C26H30N6O4S/c1-4-37(33,34)30-18-10-13-31(14-11-18)26-28-21-9-8-19(23-16(2)29-36-17(23)3)25-24(21)32(26)22(15-35-25)20-7-5-6-12-27-20/h5-9,12,18,22,30H,4,10-11,13-15H2,1-3H3
PDB

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n/an/a<25n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


J Med Chem 51: 1904-12 (2008)


BindingDB Entry DOI: 10.7270/Q2D50Q7W
More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM362659
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CCS(=O)(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-5.87,7.44,;-5.1,6.11,;-3.56,6.11,;-3.56,7.65,;-3.56,4.57,;-2.02,6.11,;-1.25,4.78,;-2.02,3.44,;-1.25,2.11,;.29,2.11,;1.06,3.44,;.29,4.78,;1.06,.77,;2.6,.77,;3.16,-.66,;4.49,-1.43,;4.49,-2.97,;3.16,-3.74,;3.16,-5.28,;1.91,-6.18,;.45,-5.71,;2.39,-7.65,;3.93,-7.65,;4.41,-6.18,;5.87,-5.71,;1.83,-2.97,;.49,-3.74,;-.84,-2.97,;-.84,-1.43,;-2.17,-.66,;-3.51,-1.43,;-4.84,-.66,;-4.84,.88,;-3.51,1.65,;-2.17,.88,;.49,-.66,;1.83,-1.43,)|
Show InChI InChI=1S/C26H30N6O4S/c1-4-37(33,34)30-18-10-13-31(14-11-18)26-28-21-9-8-19(23-16(2)29-36-17(23)3)25-24(21)32(26)22(15-35-25)20-7-5-6-12-27-20/h5-9,12,18,22,30H,4,10-11,13-15H2,1-3H3
PDB

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a<25n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


J Med Chem 51: 1904-12 (2008)


BindingDB Entry DOI: 10.7270/Q2D50Q7W
More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM362659
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CCS(=O)(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-5.87,7.44,;-5.1,6.11,;-3.56,6.11,;-3.56,7.65,;-3.56,4.57,;-2.02,6.11,;-1.25,4.78,;-2.02,3.44,;-1.25,2.11,;.29,2.11,;1.06,3.44,;.29,4.78,;1.06,.77,;2.6,.77,;3.16,-.66,;4.49,-1.43,;4.49,-2.97,;3.16,-3.74,;3.16,-5.28,;1.91,-6.18,;.45,-5.71,;2.39,-7.65,;3.93,-7.65,;4.41,-6.18,;5.87,-5.71,;1.83,-2.97,;.49,-3.74,;-.84,-2.97,;-.84,-1.43,;-2.17,-.66,;-3.51,-1.43,;-4.84,-.66,;-4.84,.88,;-3.51,1.65,;-2.17,.88,;.49,-.66,;1.83,-1.43,)|
Show InChI InChI=1S/C26H30N6O4S/c1-4-37(33,34)30-18-10-13-31(14-11-18)26-28-21-9-8-19(23-16(2)29-36-17(23)3)25-24(21)32(26)22(15-35-25)20-7-5-6-12-27-20/h5-9,12,18,22,30H,4,10-11,13-15H2,1-3H3
PDB

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a<25n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9834565 (2017)


BindingDB Entry DOI: 10.7270/Q29P33XS
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM362659
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CCS(=O)(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-5.87,7.44,;-5.1,6.11,;-3.56,6.11,;-3.56,7.65,;-3.56,4.57,;-2.02,6.11,;-1.25,4.78,;-2.02,3.44,;-1.25,2.11,;.29,2.11,;1.06,3.44,;.29,4.78,;1.06,.77,;2.6,.77,;3.16,-.66,;4.49,-1.43,;4.49,-2.97,;3.16,-3.74,;3.16,-5.28,;1.91,-6.18,;.45,-5.71,;2.39,-7.65,;3.93,-7.65,;4.41,-6.18,;5.87,-5.71,;1.83,-2.97,;.49,-3.74,;-.84,-2.97,;-.84,-1.43,;-2.17,-.66,;-3.51,-1.43,;-4.84,-.66,;-4.84,.88,;-3.51,1.65,;-2.17,.88,;.49,-.66,;1.83,-1.43,)|
Show InChI InChI=1S/C26H30N6O4S/c1-4-37(33,34)30-18-10-13-31(14-11-18)26-28-21-9-8-19(23-16(2)29-36-17(23)3)25-24(21)32(26)22(15-35-25)20-7-5-6-12-27-20/h5-9,12,18,22,30H,4,10-11,13-15H2,1-3H3
PDB

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a<25n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9834565 (2017)


BindingDB Entry DOI: 10.7270/Q29P33XS
More data for this
Ligand-Target Pair