BindingDB logo
myBDB logout

BDBM345644 Butane-1-sulfonic acid [4-(2,6- difluoro-phenoxy)-6-(1,5-dimethyl- 6-oxo-1,6-dihydro-pyridin-3-yl)- [1,3,5]triazin-2-yl]-amide::US10202360, Example 189

SMILES: CCCCS(=O)(=O)Nc1nc(Oc2c(F)cccc2F)nc(n1)-c1cc(C)c(=O)n(C)c1

InChI Key: InChIKey=QLGQWLQQHUEIGE-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 345644   
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
CREB-binding protein


(Homo sapiens (Human))
BDBM345644
PNG
(Butane-1-sulfonic acid [4-(2,6- difluoro-phenoxy)-...)
Show SMILES CCCCS(=O)(=O)Nc1nc(Oc2c(F)cccc2F)nc(n1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C20H21F2N5O4S/c1-4-5-9-32(29,30)26-19-23-17(13-10-12(2)18(28)27(3)11-13)24-20(25-19)31-16-14(21)7-6-8-15(16)22/h6-8,10-11H,4-5,9H2,1-3H3,(H,23,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair