BDBM60875 3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid::3-{[2-(pyridin-2-yl)-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)pyrimidin-4-yl]amino}propanoic acid::GSK J1::GSK-J1::GSKJ1

SMILES OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1

InChI Key InChIKey=AVZCPICCWKMZDT-UHFFFAOYSA-N

Data  29 IC50  1 Kd

PDB links: 5 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 60875   

TargetLysine-specific demethylase 5A(Homo sapiens (Human))
Genentech

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  2.90E+3nMpH: 7.0Assay Description:Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...More data for this Ligand-Target Pair
TargetLysine-specific demethylase 6B(Homo sapiens (Human))TBA
LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  60nMAssay Description:Inhibition of KDM6B (unknown origin)More data for this Ligand-Target Pair
TargetLysine-specific demethylase 5C(Homo sapiens (Human))
Genentech

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  1.20E+3nMpH: 7.0Assay Description:Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 2B(Homo sapiens (Human))
Genentech

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50: >2.50E+4nMAssay Description:TR-FRET assays similar to those described above for KDM5 enzymes were carried out with full-length KDM2B, KDM3B, KDM4C, KDM6A and KDM7B.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 3B(Homo sapiens (Human))
Genentech

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50: >2.50E+4nMAssay Description:TR-FRET assays similar to those described above for KDM5 enzymes were carried out with full-length KDM2B, KDM3B, KDM4C, KDM6A and KDM7B.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4C [1-350](Homo sapiens (Human))
Genentech

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  1.33E+4nMpH: 7.5Assay Description:High-throughput MS assays were carried out using truncated KDM4C in 384-well V-bottom polypropylene plates (Greiner, Inc.). His-tagged recombinant KD...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 6A(Homo sapiens (Human))
Genentech

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  3.20E+3nMAssay Description:TR-FRET assays similar to those described above for KDM5 enzymes were carried out with full-length KDM2B, KDM3B, KDM4C, KDM6A and KDM7B.More data for this Ligand-Target Pair
TargetHistone lysine demethylase PHF8(Homo sapiens (Human))
Genentech

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50: >2.50E+4nMAssay Description:TR-FRET assays similar to those described above for KDM5 enzymes were carried out with full-length KDM2B, KDM3B, KDM4C, KDM6A and KDM7B.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5A [1-801](Homo sapiens (Human))
University of Oxford

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  3.90E+3nMpH: 7.5Assay Description:The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...More data for this Ligand-Target Pair
TargetLysine-specific demethylase 5B(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  550nMpH: 7.5Assay Description:The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...More data for this Ligand-Target Pair
TargetLysine-specific demethylase 5C [1-765](Homo sapiens (Human))
University of Oxford

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  1.50E+3nMpH: 7.5Assay Description:The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5D [1-775](Homo sapiens (Human))
University of Oxford

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  1.50E+3nMpH: 7.5Assay Description:The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4C(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  6.49E+4nMpH: 7.5Assay Description:The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 6B(Homo sapiens (Human))TBA
LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  160nMpH: 7.5Assay Description:The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...More data for this Ligand-Target Pair
TargetLysine-specific demethylase 3A(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  4.60E+4nMpH: 7.5Assay Description:The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 6B(Homo sapiens (Human))TBA
LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  150nMAssay Description:Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assayMore data for this Ligand-Target Pair
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
Genentech

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataKd:  1.20E+4nMAssay Description:Binding affinity to KDM5A ARID/PhD1 domain deletion mutant (1 to 588 residues) (unknown origin) by ITC assayMore data for this Ligand-Target Pair
TargetLysine-specific demethylase 4A(Homo sapiens (Human))
The University Of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  4.00E+5nMAssay Description:Inhibition of KDM4A (1 to 350 residues) (unknown origin) using H3 ( 1 to 15 residues) K9me3 as substrate preincubated for 15 min followed by substrat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 6A(Homo sapiens (Human))
Genentech

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  6.90E+4nMAssay Description:Inhibition of KDM6A (880 to 1401 residues) (unknown origin) using H3 ( 21 to 44 residues) K27me3 as substrate preincubated for 15 min followed by sub...More data for this Ligand-Target Pair
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
Genentech

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  1.10E+5nMAssay Description:Inhibition of KDM5A ARID/PhD1 domain deletion mutant (1 to 739 residues) (unknown origin) using H3 ( 1 to 24 residues) K4me3 as substrate preincubate...More data for this Ligand-Target Pair
TargetLysine-specific demethylase 4E(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of KDM4E (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 6B(Homo sapiens (Human))TBA
LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  63nMAssay Description:Inhibition of KDM6B (unknown origin)More data for this Ligand-Target Pair
TargetLysine-specific demethylase 3A(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  3.98E+4nMAssay Description:Inhibition of KDM3A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 6B(Homo sapiens (Human))TBA
LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  16nMAssay Description:Inhibition of C-terminal FLAG-tagged human KDM6B expressed in expressed in Sf9 cells pre-incubated for 4 hrs before substrate addition and measured a...More data for this Ligand-Target Pair
TargetProlyl 4-hydroxylase(Paramecium bursaria Chlorella virus 1)
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  1.59E+4nMAssay Description:Inhibition of N-terminal His6-tagged recombinant Paramecium bursaria chlorella virus 1 CPH expressed in Escherichia coli Rosetta 2 (DE3) cells pre-in...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5B(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  170nMAssay Description:Inhibition of KDM5B (unknown origin ) by TR-FRET assayMore data for this Ligand-Target Pair
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
Genentech

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  6.80E+3nMAssay Description:Inhibition of KDM5A (unknown origin ) by TR-FRET assayMore data for this Ligand-Target Pair
TargetLysine-specific demethylase 6B(Homo sapiens (Human))TBA
LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  28nMAssay Description:Inhibition of KDM6B (unknown origin ) by TR-FRET assayMore data for this Ligand-Target Pair
TargetLysine-specific demethylase 5B(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  1.70E+3nMAssay Description:Inhibition of KDM5B (unknown origin)More data for this Ligand-Target Pair
TargetLysine-specific demethylase 5B(Homo sapiens (Human))
University of Oxford

LigandPNGBDBM60875(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Affinity DataIC50:  210nMAssay Description:TR-FRET assays similar to those described above for KDM5 enzymes were carried out with full-length KDM2B, KDM3B, KDM4C, KDM6A and KDM7B.More data for this Ligand-Target Pair