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BDBM318688 N'-{(3R)-1-[(4S)-7-(3,5- dimethylisoxazol-4-yl)-4-pyridin-2-yl- 4,5-dihydroimidazo[1,5,4- de][1,4]benzoxazin-2-yl]pyrrolidin-3- yl}-N,N-dimethylurea::US9624241, Example 216

SMILES: CN(C)C(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23

InChI Key: InChIKey=RHKJHWBJIHXHMW-DYESRHJHSA-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 = 318688   
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 4


(Homo sapiens (Human))
BDBM318688
PNG
(N'-{(3R)-1-[(4S)-7-(3,5- dimethylisoxazol-4-yl)-4-...)
Show SMILES CN(C)C(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H29N7O3/c1-15-22(16(2)36-30-15)18-8-9-20-23-24(18)35-14-21(19-7-5-6-11-27-19)33(23)25(29-20)32-12-10-17(13-32)28-26(34)31(3)4/h5-9,11,17,21H,10,12-14H2,1-4H3,(H,28,34)/t17-,21-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Corporation; Incyte Holdings 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 US9624241 (2017)

More data for this
Ligand-Target Pair
Bromodomain containing 4


(Homo sapiens (Human))
BDBM318688
PNG
(N'-{(3R)-1-[(4S)-7-(3,5- dimethylisoxazol-4-yl)-4-...)
Show SMILES CN(C)C(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H29N7O3/c1-15-22(16(2)36-30-15)18-8-9-20-23-24(18)35-14-21(19-7-5-6-11-27-19)33(23)25(29-20)32-12-10-17(13-32)28-26(34)31(3)4/h5-9,11,17,21H,10,12-14H2,1-4H3,(H,28,34)/t17-,21-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Corporation; Incyte Holdings 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 US9624241 (2017)

More data for this
Ligand-Target Pair