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BDBM220749 US9296741, 338

SMILES: CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]c(cc12)C(=O)N1CCN(C)CC1

InChI Key: InChIKey=VOJDRZCXELNEBL-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 220749   
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
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220749
PNG
(US9296741, 338)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]c(cc12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C28H29F2N5O5S/c1-4-41(38,39)32-18-6-8-24(40-25-7-5-17(29)13-22(25)30)19(14-18)21-16-34(3)28(37)26-20(21)15-23(31-26)27(36)35-11-9-33(2)10-12-35/h5-8,13-16,31-32H,4,9-12H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.860 -12.4n/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)


(Homo sapiens (Human))
BDBM220749
PNG
(US9296741, 338)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]c(cc12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C28H29F2N5O5S/c1-4-41(38,39)32-18-6-8-24(40-25-7-5-17(29)13-22(25)30)19(14-18)21-16-34(3)28(37)26-20(21)15-23(31-26)27(36)35-11-9-33(2)10-12-35/h5-8,13-16,31-32H,4,9-12H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
12.7 -10.8n/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