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BDBM345577 Butane-1-sulfonic acid [6-(5-chloro- 1-methyl-6-oxo-1,6-dihydro- pyridin-3-yl)-2-(2-fluoro-6-methyl- phenoxy)-pyrimidin-4-yl]-amide::US10202360, Example 122

SMILES: CCCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2F)n1)-c1cc(Cl)c(=O)n(C)c1

InChI Key: InChIKey=IIWJHSMXQJFTNG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 345577   
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))
BDBM345577
PNG
(Butane-1-sulfonic acid [6-(5-chloro- 1-methyl-6-ox...)
Show SMILES CCCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2F)n1)-c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1S/C21H22ClFN4O4S/c1-4-5-9-32(29,30)26-18-11-17(14-10-15(22)20(28)27(3)12-14)24-21(25-18)31-19-13(2)7-6-8-16(19)23/h6-8,10-12H,4-5,9H2,1-3H3,(H,24,25,26)
PDB
MMDB

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PC cid
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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