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SMILES: Cc1noc(C)c1-c1cnc2c(cn(CC3CC(F)(F)C3)c2c1)-c1cnn(CC(F)(F)F)c1

InChI Key: InChIKey=ZVROERWTIKLVHP-UHFFFAOYSA-N

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 = 425352   
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 [44-164]


(Homo sapiens (Human))
BDBM425352
PNG
(4-[1-[dideuterio-(3,3- difluorocyclobutyl)methyl]-...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3CC(F)(F)C3)c2c1)-c1cnn(CC(F)(F)F)c1
Show InChI InChI=1S/C22H20F5N5O/c1-12-19(13(2)33-30-12)15-3-18-20(28-6-15)17(10-31(18)8-14-4-21(23,24)5-14)16-7-29-32(9-16)11-22(25,26)27/h3,6-7,9-10,14H,4-5,8,11H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425352
PNG
(4-[1-[dideuterio-(3,3- difluorocyclobutyl)methyl]-...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3CC(F)(F)C3)c2c1)-c1cnn(CC(F)(F)F)c1
Show InChI InChI=1S/C22H20F5N5O/c1-12-19(13(2)33-30-12)15-3-18-20(28-6-15)17(10-31(18)8-14-4-21(23,24)5-14)16-7-29-32(9-16)11-22(25,26)27/h3,6-7,9-10,14H,4-5,8,11H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425352
PNG
(4-[1-[dideuterio-(3,3- difluorocyclobutyl)methyl]-...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3CC(F)(F)C3)c2c1)-c1cnn(CC(F)(F)F)c1
Show InChI InChI=1S/C22H20F5N5O/c1-12-19(13(2)33-30-12)15-3-18-20(28-6-15)17(10-31(18)8-14-4-21(23,24)5-14)16-7-29-32(9-16)11-22(25,26)27/h3,6-7,9-10,14H,4-5,8,11H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425352
PNG
(4-[1-[dideuterio-(3,3- difluorocyclobutyl)methyl]-...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3CC(F)(F)C3)c2c1)-c1cnn(CC(F)(F)F)c1
Show InChI InChI=1S/C22H20F5N5O/c1-12-19(13(2)33-30-12)15-3-18-20(28-6-15)17(10-31(18)8-14-4-21(23,24)5-14)16-7-29-32(9-16)11-22(25,26)27/h3,6-7,9-10,14H,4-5,8,11H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair