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BDBM220454 US9296741, 43

SMILES: Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)N2CCCS2(=O)=O)c2cc[nH]c2c1=O

InChI Key: InChIKey=LBXQLGRAZRCPAY-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 = 220454   
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))
BDBM220454
PNG
(US9296741, 43)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)N2CCCS2(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C23H19F2N3O4S/c1-27-13-18(16-7-8-26-22(16)23(27)29)17-12-15(28-9-2-10-33(28,30)31)4-6-20(17)32-21-5-3-14(24)11-19(21)25/h3-8,11-13,26H,2,9-10H2,1H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.20 -12.2n/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))
BDBM220454
PNG
(US9296741, 43)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)N2CCCS2(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C23H19F2N3O4S/c1-27-13-18(16-7-8-26-22(16)23(27)29)17-12-15(28-9-2-10-33(28,30)31)4-6-20(17)32-21-5-3-14(24)11-19(21)25/h3-8,11-13,26H,2,9-10H2,1H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.70 -12.0n/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