BDBM50075073 CHEMBL3414622

SMILES c1cc(cc(c1)C(F)(F)F)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4

InChI Key InChIKey=JCKGSPAAPQRPBW-UHFFFAOYSA-N

Data  2 KI  8 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50075073   

TargetHistone-lysine N-methyltransferase SETD7(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50075073(CHEMBL3414622)
Affinity DataKi:  0.330nMAssay Description:Inhibition of full-length human SETD7 expressed in Escherichia coli BL21 (DE3) using biotinylated histone H3 (1 to 25) as substrate after 1 hr by Fla...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SETD7(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50075073(CHEMBL3414622)
Affinity DataKi:  0.330nMAssay Description:Inhibition of full length human SETD7 (1 to 366 residues) expressed in Escherichia coli BL21 (DE3) V2R-pRARE assessed as apparent inhibition constant...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SETD7(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50075073(CHEMBL3414622)
Affinity DataIC50: 2nMAssay Description:Inhibition of full-length human SETD7 expressed in Escherichia coli BL21 (DE3) using biotinylated histone H3 (1 to 25) as substrate after 1 hr by Fla...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SETD7(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50075073(CHEMBL3414622)
Affinity DataIC50: 2nMAssay Description:Inhibition of recombinant full-length human SETD7 (1 to 366 residues) expressed in Escherichia coli BL21 (DE3) using [3H]-SAM-fused biotinylated pept...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SETD7(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50075073(CHEMBL3414622)
Affinity DataIC50: 2nMAssay Description:Inhibition of wildtype full length human SETD7 (1 to 366 residues) expressed in Escherichia coli BL21 (DE3) V2R-pRARE using biotinylated H3 (1-25) pe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SETD7(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50075073(CHEMBL3414622)
Affinity DataIC50: 2nMAssay Description:Inhibition of recombinant human SET7 expressed in Escherichia coli using [3H] SAM as substrate by scintillation counter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SETD7(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50075073(CHEMBL3414622)
Affinity DataKd:  4.20nMAssay Description:Binding affinity to biotinylated SETD7 (unknown origin) assessed as dissociation constant in presence of SAM in flow and wash buffer by SPR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAlpha-2B adrenergic receptor(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50075073(CHEMBL3414622)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human alpha 2B receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetKappa-type opioid receptor(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50075073(CHEMBL3414622)
Affinity DataIC50: 3.80E+3nMAssay Description:Inhibition of human kappa opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetMotilin receptor(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50075073(CHEMBL3414622)
Affinity DataIC50: 7.20E+3nMAssay Description:Inhibition of human motilin receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetBombesin receptor subtype-3(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50075073(CHEMBL3414622)
Affinity DataIC50: 8.10E+3nMAssay Description:Inhibition of human BB3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed