BDBM313774 US10167292, Example 8

SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(N)nc1

InChI Key InChIKey=PUTQASIWNBKTDJ-UHFFFAOYSA-N

Data  10 IC50  2 Koff

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 313774   

TargetBromodomain-containing protein 2 [91-163](Homo sapiens (Human))
Catalyst Therapeutics

US Patent
LigandPNGBDBM313774(US10167292, Example 8)
Affinity DataIC50: <100nMAssay Description:BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetBromodomain-containing protein 2 [364-436](Homo sapiens (Human))
Catalyst Therapeutics

US Patent
LigandPNGBDBM313774(US10167292, Example 8)
Affinity DataIC50: <100nMAssay Description:BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetBromodomain-containing protein 3 [51-123](Homo sapiens (Human))
Catalyst Therapeutics

US Patent
LigandPNGBDBM313774(US10167292, Example 8)
Affinity DataIC50: <100nMAssay Description:BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetBromodomain-containing protein 4 [75-147](Homo sapiens (Human))
Catalyst Therapeutics

US Patent
LigandPNGBDBM313774(US10167292, Example 8)
Affinity DataIC50: <100nMAssay Description:BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetBromodomain-containing protein 4 [368-440](Homo sapiens (Human))
Catalyst Therapeutics

US Patent
LigandPNGBDBM313774(US10167292, Example 8)
Affinity DataIC50: <100nMAssay Description:BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetBromodomain-containing protein 2(Homo sapiens (Human))
Walter And Eliza Hall Institute Of Medical Research

Curated by ChEMBL
LigandPNGBDBM313774(US10167292, Example 8)
Affinity DataKon:  0.130M-1s-1Assay Description:Binding affinity to His-tagged human Brd2 bromodomain 1 (1 to 473 residues) assessed as dissociation rate constant by surface plasmon resonance assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Walter And Eliza Hall Institute Of Medical Research

Curated by ChEMBL
LigandPNGBDBM313774(US10167292, Example 8)
Affinity DataIC50:  13nMAssay Description:Inhibition of human His-tagged Brd4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Walter And Eliza Hall Institute Of Medical Research

Curated by ChEMBL
LigandPNGBDBM313774(US10167292, Example 8)
Affinity DataIC50:  6nMAssay Description:Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 2(Homo sapiens (Human))
Walter And Eliza Hall Institute Of Medical Research

Curated by ChEMBL
LigandPNGBDBM313774(US10167292, Example 8)
Affinity DataIC50:  21nMAssay Description:Inhibition of human His-tagged Brd2 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 3(Homo sapiens (Human))
Walter And Eliza Hall Institute Of Medical Research

Curated by ChEMBL
LigandPNGBDBM313774(US10167292, Example 8)
Affinity DataIC50:  9nMAssay Description:Inhibition of human His-tagged Brd3 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 2(Homo sapiens (Human))
Walter And Eliza Hall Institute Of Medical Research

Curated by ChEMBL
LigandPNGBDBM313774(US10167292, Example 8)
Affinity DataKon:  0.0390M-1s-1Assay Description:Binding affinity to His-tagged human Brd2 bromodomain 2 (1 to 473 residues) assessed as dissociation rate constant by surface plasmon resonance assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 2(Homo sapiens (Human))
Walter And Eliza Hall Institute Of Medical Research

Curated by ChEMBL
LigandPNGBDBM313774(US10167292, Example 8)
Affinity DataIC50:  33nMAssay Description:Inhibition of human His-tagged Brd2 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed