BindingDB logo
myBDB logout

BDBM345616 Propane-1-sulfonic acid [6-(1,5- dimethyl-6-oxo-1,6-dihydro-pyridin- 3-yl)-2-(2-fluoro-6-methyl- phenoxy)-5-methyl-pyrimidin-4-yl]- amide::US10202360, Example 161

SMILES: CCCS(=O)(=O)Nc1nc(Oc2c(C)cccc2F)nc(c1C)-c1cc(C)c(=O)n(C)c1

InChI Key: InChIKey=HCTIBVTZALISRV-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 = 345616   
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))
BDBM345616
PNG
(Propane-1-sulfonic acid [6-(1,5- dimethyl-6-oxo-1,...)
Show SMILES CCCS(=O)(=O)Nc1nc(Oc2c(C)cccc2F)nc(c1C)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H25FN4O4S/c1-6-10-32(29,30)26-20-15(4)18(16-11-14(3)21(28)27(5)12-16)24-22(25-20)31-19-13(2)8-7-9-17(19)23/h7-9,11-12H,6,10H2,1-5H3,(H,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