BDBM50324210 (+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic Acid::(3S,3aR)-2-(3-Chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic Acid::CHEMBL1215331

SMILES OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1

InChI Key InChIKey=XNULRSOGWPFPBL-UHFFFAOYSA-N

Data  14 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50324210   

TargetHistone-lysine N-methyltransferase NSD3(Human)
Peking University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50324210BDBM50324210((3S,3aR)-2-(3-Chloro-4-cyanophenyl)-3-cyclopentyl-...)
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of N-terminal GST-fused recombinant human NSD3 (1021 to 1322 residues) expressed in Escherichia coli using SAM as substrate preincubated f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetHistone-lysine N-methyltransferase NSD2(Human)
Peking University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50324210BDBM50324210((3S,3aR)-2-(3-Chloro-4-cyanophenyl)-3-cyclopentyl-...)
Affinity DataIC50: 7.60E+3nMAssay Description:Inhibition of N-terminal polyhistidine-tagged human NSD2 expressed in baculovirus infected insect cell using SAM as substrate preincubated for 20 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
LigandChemical structure of BindingDB Monomer ID 50324210BDBM50324210((3S,3aR)-2-(3-Chloro-4-cyanophenyl)-3-cyclopentyl-...)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of N-terminal polyhistidine-tagged recombinant human NSD1 (1538 to 2696 residues) expressed in baculovirus infected insect cell using SAM ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed