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BDBM220758 US9296741, 347

SMILES: Cn1cc(-c2cc(ccc2OCC2CC2)S(=O)(=O)Nc2ccc(F)cc2)c2cc[nH]c2c1=O

InChI Key: InChIKey=KCKGDSCWGWLTQA-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 220758   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4 (BRD4)(aa 352-457)


(Homo sapiens (Human))
BDBM220758
PNG
(US9296741, 347)
Show SMILES Cn1cc(-c2cc(ccc2OCC2CC2)S(=O)(=O)Nc2ccc(F)cc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C24H22FN3O4S/c1-28-13-21(19-10-11-26-23(19)24(28)29)20-12-18(8-9-22(20)32-14-15-2-3-15)33(30,31)27-17-6-4-16(25)5-7-17/h4-13,15,26-27H,2-3,14H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
4 -11.4n/an/an/an/an/a6.025



AbbVie Inc

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(aa 57-168)


(Homo sapiens (Human))
BDBM220758
PNG
(US9296741, 347)
Show SMILES Cn1cc(-c2cc(ccc2OCC2CC2)S(=O)(=O)Nc2ccc(F)cc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C24H22FN3O4S/c1-28-13-21(19-10-11-26-23(19)24(28)29)20-12-18(8-9-22(20)32-14-15-2-3-15)33(30,31)27-17-6-4-16(25)5-7-17/h4-13,15,26-27H,2-3,14H2,1H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
15.6 -10.6n/an/an/an/an/a6.025



AbbVie Inc

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair