BindingDB logo
myBDB logout

BDBM333405 5-(2,4-Difluorophenoxy)-6-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one::US9737516, Example 1

SMILES: Cn1cc(-c2cc3[nH]c(=O)[nH]c3cc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O

InChI Key: InChIKey=GWPMHMOGSQWLQC-UHFFFAOYSA-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 = 333405   
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 [368-440]


(Homo sapiens (Human))
BDBM333405
PNG
(5-(2,4-Difluorophenoxy)-6-(6-methyl-7-oxo-6,7-dihy...)
Show SMILES Cn1cc(-c2cc3[nH]c(=O)[nH]c3cc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H14F2N4O3/c1-27-9-13(11-4-5-24-19(11)20(27)28)12-7-15-16(26-21(29)25-15)8-18(12)30-17-3-2-10(22)6-14(17)23/h2-9,24H,1H3,(H2,25,26,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333405
PNG
(5-(2,4-Difluorophenoxy)-6-(6-methyl-7-oxo-6,7-dihy...)
Show SMILES Cn1cc(-c2cc3[nH]c(=O)[nH]c3cc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H14F2N4O3/c1-27-9-13(11-4-5-24-19(11)20(27)28)12-7-15-16(26-21(29)25-15)8-18(12)30-17-3-2-10(22)6-14(17)23/h2-9,24H,1H3,(H2,25,26,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair