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BDBM50270479 CHEMBL4127094

SMILES: [I-].CCCCc1oc2ccccc2c1C(=O)c1ccccc1OCCC[N+](C)(C)C

InChI Key: InChIKey=MUZHQXLLSAFYCM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50270479   
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 5A


(Homo sapiens (Human))
BDBM50270479
PNG
(CHEMBL4127094)
Show SMILES [I-].CCCCc1oc2ccccc2c1C(=O)c1ccccc1OCCC[N+](C)(C)C
Show InChI InChI=1S/C25H32NO3/c1-5-6-14-23-24(19-12-7-10-16-22(19)29-23)25(27)20-13-8-9-15-21(20)28-18-11-17-26(2,3)4/h7-10,12-13,15-16H,5-6,11,14,17-18H2,1-4H3/q+1
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Article
PubMed
n/an/a 1.15E+6n/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
Lysine-specific demethylase PHF2


(Homo sapiens)
BDBM50270479
PNG
(CHEMBL4127094)
Show SMILES [I-].CCCCc1oc2ccccc2c1C(=O)c1ccccc1OCCC[N+](C)(C)C
Show InChI InChI=1S/C25H32NO3/c1-5-6-14-23-24(19-12-7-10-16-22(19)29-23)25(27)20-13-8-9-15-21(20)28-18-11-17-26(2,3)4/h7-10,12-13,15-16H,5-6,11,14,17-18H2,1-4H3/q+1
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Article
PubMed
n/an/a 1.29E+6n/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))
BDBM50270479
PNG
(CHEMBL4127094)
Show SMILES [I-].CCCCc1oc2ccccc2c1C(=O)c1ccccc1OCCC[N+](C)(C)C
Show InChI InChI=1S/C25H32NO3/c1-5-6-14-23-24(19-12-7-10-16-22(19)29-23)25(27)20-13-8-9-15-21(20)28-18-11-17-26(2,3)4/h7-10,12-13,15-16H,5-6,11,14,17-18H2,1-4H3/q+1
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Article
PubMed
n/an/a 1.02E+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) (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))
BDBM50270479
PNG
(CHEMBL4127094)
Show SMILES [I-].CCCCc1oc2ccccc2c1C(=O)c1ccccc1OCCC[N+](C)(C)C
Show InChI InChI=1S/C25H32NO3/c1-5-6-14-23-24(19-12-7-10-16-22(19)29-23)25(27)20-13-8-9-15-21(20)28-18-11-17-26(2,3)4/h7-10,12-13,15-16H,5-6,11,14,17-18H2,1-4H3/q+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.96E+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