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BDBM345521 N-(2-(2,4-difluorophenoxy)-6-(1,5- dimethyl-6-oxo-1,6-dihydropyridin- 3-yl)pyrimidin-4- yl)cyclopentanesulfonamide::US10202360, Example 66

SMILES: Cc1cc(cn(C)c1=O)-c1cc(NS(=O)(=O)C2CCCC2)nc(Oc2ccc(F)cc2F)n1

InChI Key: InChIKey=QGHCKFACSVCALW-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 = 345521   
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))
BDBM345521
PNG
(N-(2-(2,4-difluorophenoxy)-6-(1,5- dimethyl-6-oxo-...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(NS(=O)(=O)C2CCCC2)nc(Oc2ccc(F)cc2F)n1
Show InChI InChI=1S/C22H22F2N4O4S/c1-13-9-14(12-28(2)21(13)29)18-11-20(27-33(30,31)16-5-3-4-6-16)26-22(25-18)32-19-8-7-15(23)10-17(19)24/h7-12,16H,3-6H2,1-2H3,(H,25,26,27)
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
CREB-binding protein


(Homo sapiens (Human))
BDBM345521
PNG
(N-(2-(2,4-difluorophenoxy)-6-(1,5- dimethyl-6-oxo-...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(NS(=O)(=O)C2CCCC2)nc(Oc2ccc(F)cc2F)n1
Show InChI InChI=1S/C22H22F2N4O4S/c1-13-9-14(12-28(2)21(13)29)18-11-20(27-33(30,31)16-5-3-4-6-16)26-22(25-18)32-19-8-7-15(23)10-17(19)24/h7-12,16H,3-6H2,1-2H3,(H,25,26,27)
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))
BDBM345521
PNG
(N-(2-(2,4-difluorophenoxy)-6-(1,5- dimethyl-6-oxo-...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(NS(=O)(=O)C2CCCC2)nc(Oc2ccc(F)cc2F)n1
Show InChI InChI=1S/C22H22F2N4O4S/c1-13-9-14(12-28(2)21(13)29)18-11-20(27-33(30,31)16-5-3-4-6-16)26-22(25-18)32-19-8-7-15(23)10-17(19)24/h7-12,16H,3-6H2,1-2H3,(H,25,26,27)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.75E+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