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SMILES: Cc1nnn(C)c1-c1cnc2c(cn(CC3CCC(F)(F)CC3)c2c1)-c1cnn(CC(F)(F)F)c1

InChI Key: InChIKey=YBLPAUZBPXRQOM-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 2 hits for monomerid = 425406   
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 [1-477]


(Homo sapiens (Human))
BDBM425406
PNG
(1-[(4,4-difluorocyclohexyl)methyl]-6- (3,5-dimethy...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(cn(CC3CCC(F)(F)CC3)c2c1)-c1cnn(CC(F)(F)F)c1
Show InChI InChI=1S/C23H24F5N7/c1-14-21(33(2)32-31-14)16-7-19-20(29-8-16)18(17-9-30-35(11-17)13-23(26,27)28)12-34(19)10-15-3-5-22(24,25)6-4-15/h7-9,11-12,15H,3-6,10,13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+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))
BDBM425406
PNG
(1-[(4,4-difluorocyclohexyl)methyl]-6- (3,5-dimethy...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(cn(CC3CCC(F)(F)CC3)c2c1)-c1cnn(CC(F)(F)F)c1
Show InChI InChI=1S/C23H24F5N7/c1-14-21(33(2)32-31-14)16-7-19-20(29-8-16)18(17-9-30-35(11-17)13-23(26,27)28)12-34(19)10-15-3-5-22(24,25)6-4-15/h7-9,11-12,15H,3-6,10,13H2,1-2H3
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