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BDBM345568 Butane-1-sulfonic acid [2-(2-fluoro- 6-methyl-phenoxy)-6-(1-methyl-6- oxo-1,6-dihydro-pyridin-3-yl)- pyrimidin-4-yl]-amide::US10202360, Example 113

SMILES: CCCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2F)n1)-c1ccc(=O)n(C)c1

InChI Key: InChIKey=KIUXMESFQFPSQB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 345568   
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))
BDBM345568
PNG
(Butane-1-sulfonic acid [2-(2-fluoro- 6-methyl-phen...)
Show SMILES CCCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2F)n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C21H23FN4O4S/c1-4-5-11-31(28,29)25-18-12-17(15-9-10-19(27)26(3)13-15)23-21(24-18)30-20-14(2)7-6-8-16(20)22/h6-10,12-13H,4-5,11H2,1-3H3,(H,23,24,25)
PDB
MMDB

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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
CREB-binding protein


(Homo sapiens (Human))
BDBM345568
PNG
(Butane-1-sulfonic acid [2-(2-fluoro- 6-methyl-phen...)
Show SMILES CCCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2F)n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C21H23FN4O4S/c1-4-5-11-31(28,29)25-18-12-17(15-9-10-19(27)26(3)13-15)23-21(24-18)30-20-14(2)7-6-8-16(20)22/h6-10,12-13H,4-5,11H2,1-3H3,(H,23,24,25)
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
BRD4 - BD1


(Homo sapiens (Human))
BDBM345568
PNG
(Butane-1-sulfonic acid [2-(2-fluoro- 6-methyl-phen...)
Show SMILES CCCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2F)n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C21H23FN4O4S/c1-4-5-11-31(28,29)25-18-12-17(15-9-10-19(27)26(3)13-15)23-21(24-18)30-20-14(2)7-6-8-16(20)22/h6-10,12-13H,4-5,11H2,1-3H3,(H,23,24,25)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+3n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Inhibition of BRD4 was determined as previously described in U.S. Pat. No. 9,034,900.


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair