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BDBM50273469 CHEMBL4126406

SMILES: [I-].Cc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1

InChI Key: InChIKey=FKSGUSGEWAFUAT-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50273469   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific demethylase 7A/7B


(Homo sapiens (Human))
BDBM50273469
PNG
(CHEMBL4126406)
Show SMILES [I-].Cc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C22H26NO3/c1-16-21(19-8-5-6-9-20(19)26-16)22(24)17-10-12-18(13-11-17)25-15-7-14-23(2,3)4/h5-6,8-13H,7,14-15H2,1-4H3/q+1
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Article
PubMed
n/an/a 1.26E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7B (PHD-JmjC) (unknown origin) preincubated for 15 mins followed...


Bioorg Med Chem 26: 2984-2991 (2018)


Article DOI: 10.1016/j.bmc.2018.03.030
BindingDB Entry DOI: 10.7270/Q2N01912
More data for this
Ligand-Target Pair
Lysine-specific demethylase PHF2


(Homo sapiens)
BDBM50273469
PNG
(CHEMBL4126406)
Show SMILES [I-].Cc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C22H26NO3/c1-16-21(19-8-5-6-9-20(19)26-16)22(24)17-10-12-18(13-11-17)25-15-7-14-23(2,3)4/h5-6,8-13H,7,14-15H2,1-4H3/q+1
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UniChem

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Article
PubMed
n/an/a 5.98E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7C (PHD) (unknown origin) preincubated for 15 mins followed by p...


Bioorg Med Chem 26: 2984-2991 (2018)


Article DOI: 10.1016/j.bmc.2018.03.030
BindingDB Entry DOI: 10.7270/Q2N01912
More data for this
Ligand-Target Pair
Lysine-specific demethylase 7A/7B


(Homo sapiens (Human))
BDBM50273469
PNG
(CHEMBL4126406)
Show SMILES [I-].Cc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C22H26NO3/c1-16-21(19-8-5-6-9-20(19)26-16)22(24)17-10-12-18(13-11-17)25-15-7-14-23(2,3)4/h5-6,8-13H,7,14-15H2,1-4H3/q+1
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UniChem

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Article
PubMed
n/an/a 3.10E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7B (PHD) (unknown origin) preincubated for 15 mins followed by p...


Bioorg Med Chem 26: 2984-2991 (2018)


Article DOI: 10.1016/j.bmc.2018.03.030
BindingDB Entry DOI: 10.7270/Q2N01912
More data for this
Ligand-Target Pair
Lysine-specific demethylase 7


(Homo sapiens (Human))
BDBM50273469
PNG
(CHEMBL4126406)
Show SMILES [I-].Cc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C22H26NO3/c1-16-21(19-8-5-6-9-20(19)26-16)22(24)17-10-12-18(13-11-17)25-15-7-14-23(2,3)4/h5-6,8-13H,7,14-15H2,1-4H3/q+1
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n/an/a 1.08E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed...


Bioorg Med Chem 26: 2984-2991 (2018)


Article DOI: 10.1016/j.bmc.2018.03.030
BindingDB Entry DOI: 10.7270/Q2N01912
More data for this
Ligand-Target Pair
Lysine-specific demethylase 7A/7B


(Homo sapiens (Human))
BDBM50273469
PNG
(CHEMBL4126406)
Show SMILES [I-].Cc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C22H26NO3/c1-16-21(19-8-5-6-9-20(19)26-16)22(24)17-10-12-18(13-11-17)25-15-7-14-23(2,3)4/h5-6,8-13H,7,14-15H2,1-4H3/q+1
PDB
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Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed...


Bioorg Med Chem 26: 2984-2991 (2018)


Article DOI: 10.1016/j.bmc.2018.03.030
BindingDB Entry DOI: 10.7270/Q2N01912
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50273469
PNG
(CHEMBL4126406)
Show SMILES [I-].Cc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C22H26NO3/c1-16-21(19-8-5-6-9-20(19)26-16)22(24)17-10-12-18(13-11-17)25-15-7-14-23(2,3)4/h5-6,8-13H,7,14-15H2,1-4H3/q+1
PDB
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antibodypedia
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UniChem

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Article
PubMed
n/an/a 8.44E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from recombinant His6-tagged human KDM5A (PHD3) (1542 to 1660 residues) ...


Bioorg Med Chem 26: 2984-2991 (2018)


Article DOI: 10.1016/j.bmc.2018.03.030
BindingDB Entry DOI: 10.7270/Q2N01912
More data for this
Ligand-Target Pair