BDBM50017721 1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)piperidine::1-methyl-4-(5-dibenzo(a,e)cycloheptatrienylidene)piperidine::4-(5-dibenzo(a,d)cyclohepten-5-ylidine)-1-methylpiperidine::4-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-methylpiperidine::4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-methylpiperidine4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine::5-(1-methylpiperidylidene-4)-5H-dibenzo(a,d)cyclopheptene::CHEMBL516::CYPROHEPTADINE

SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12

InChI Key InChIKey=JJCFRYNCJDLXIK-UHFFFAOYSA-N

Data  71 KI  6 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50017721   

TargetHistone-lysine N-methyltransferase SETD7(Homo sapiens (Human))
Riken

Curated by ChEMBL
LigandPNGBDBM50017721(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Affinity DataKi:  1.50E+4nMAssay Description:Inhibition of recombinant Set7/9 (unknown origin) expressed in Escherichia coli BL21 (DE3) using Ac-KRSK-MCA peptide/SAM as substrate preincubated fo...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase SETD7(Homo sapiens (Human))
Riken

Curated by ChEMBL
LigandPNGBDBM50017721(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of recombinant Set7/9 (unknown origin) expressed in Escherichia coli BL21 (DE3) using biotinylated histone H3-derived peptide/SAM as subst...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase SETD7(Homo sapiens (Human))
Riken

Curated by ChEMBL
LigandPNGBDBM50017721(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Affinity DataIC50:  3.40E+3nMAssay Description:Inhibition of recombinant SET7/9 (unknown origin) using biotinylated histone H3-derived peptide/SAM as substrate after 60 mins by AlphaLISA assayMore data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase SETD7(Homo sapiens (Human))
Riken

Curated by ChEMBL
LigandPNGBDBM50017721(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of SET7 (unknown origin)More data for this Ligand-Target Pair