BDBM220415 US9296741, 4

SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O

InChI Key InChIKey=JEALBKSAOZOBET-UHFFFAOYSA-N

Data  3 KI  1 EC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 220415   

TargetBromodomain-containing protein 4 [57-168](Homo sapiens (Human))
Abbvie

US Patent
LigandPNGBDBM220415(US9296741, 4)
Affinity DataKi:  1.40nM ΔG°:  -12.1kcal/molepH: 6.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetBromodomain-containing protein 4 [352-457](Homo sapiens (Human))
Abbvie

US Patent
LigandPNGBDBM220415(US9296741, 4)
Affinity DataKi:  2nM ΔG°:  -11.9kcal/molepH: 6.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Abbvie

Curated by ChEMBL
LigandPNGBDBM220415(US9296741, 4)
Affinity DataKi:  2.40nMAssay Description:Inhibition of ADP-induced platelet aggregation in human platelet-rich plasmaMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Abbvie

Curated by ChEMBL
LigandPNGBDBM220415(US9296741, 4)
Affinity DataEC50:  11nMAssay Description:Inhibition of ADP-induced platelet aggregation in human platelet-rich plasmaMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB