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

InChI Key: InChIKey=DBXMFQYUEHMMJO-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 3 hits for monomerid = 425351   
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))
BDBM425351
PNG
(4-[1-[dideuterio-(3,3- difluorocyclobutyl)methyl]-...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3CC(F)(F)C3)c2c1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C21H19F4N5O/c1-11-18(12(2)31-28-11)14-3-17-19(26-6-14)16(15-7-27-30(9-15)20(22)23)10-29(17)8-13-4-21(24,25)5-13/h3,6-7,9-10,13,20H,4-5,8H2,1-2H3
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 [1-477]


(Homo sapiens (Human))
BDBM425351
PNG
(4-[1-[dideuterio-(3,3- difluorocyclobutyl)methyl]-...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3CC(F)(F)C3)c2c1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C21H19F4N5O/c1-11-18(12(2)31-28-11)14-3-17-19(26-6-14)16(15-7-27-30(9-15)20(22)23)10-29(17)8-13-4-21(24,25)5-13/h3,6-7,9-10,13,20H,4-5,8H2,1-2H3
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))
BDBM425351
PNG
(4-[1-[dideuterio-(3,3- difluorocyclobutyl)methyl]-...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3CC(F)(F)C3)c2c1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C21H19F4N5O/c1-11-18(12(2)31-28-11)14-3-17-19(26-6-14)16(15-7-27-30(9-15)20(22)23)10-29(17)8-13-4-21(24,25)5-13/h3,6-7,9-10,13,20H,4-5,8H2,1-2H3
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