BindingDB logo
myBDB logout

BDBM333426 Ammonium 3-[5-(cyclobutylmethoxy)-6-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-yl]propanoate::US9737516, Example 22

SMILES: Cn1cc(-c2cc3[nH]c(CCC([O-])=O)nc3cc2OCC2CCC2)c2cc[nH]c2c1=O

InChI Key: InChIKey=UPJFWJUEOOURPF-KFWWJZLASA-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 = 333426   
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 Bromo 2 domain(BRD4 BD2)


(Homo sapiens (Human))
BDBM333426
PNG
(Ammonium 3-[5-(cyclobutylmethoxy)-6-(6-methyl-7-ox...)
Show SMILES Cn1cc(-c2cc3[nH]c(CCC([O-])=O)nc3cc2OCC2CCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H20FN5O2/c19-12-3-1-2-11(10-12)6-7-20-16-18-23-22-17(24(18)9-8-21-16)13-4-5-14(25)15(13)26/h1-3,8-10,13-15,25-26H,4-7H2,(H,20,21)/t13-,14-,15+/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM333426
PNG
(Ammonium 3-[5-(cyclobutylmethoxy)-6-(6-methyl-7-ox...)
Show SMILES Cn1cc(-c2cc3[nH]c(CCC([O-])=O)nc3cc2OCC2CCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H20FN5O2/c19-12-3-1-2-11(10-12)6-7-20-16-18-23-22-17(24(18)9-8-21-16)13-4-5-14(25)15(13)26/h1-3,8-10,13-15,25-26H,4-7H2,(H,20,21)/t13-,14-,15+/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair