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BDBM50153097 CHEMBL3775823

SMILES: Clc1ccccc1C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1

InChI Key: InChIKey=QDNXWZJEOBANTA-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 = 50153097   
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 5C


(Homo sapiens (Human))
BDBM50153097
PNG
(CHEMBL3775823)
Show SMILES Clc1ccccc1C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H23ClN6O/c24-20-4-2-1-3-18(20)17-7-11-29(12-8-17)10-6-16-13-28-30(14-16)22-21-19(5-9-25-22)23(31)27-15-26-21/h1-5,9,13-15,17H,6-8,10-12H2,(H,26,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 119n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1388-409 (2016)


BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50153097
PNG
(CHEMBL3775823)
Show SMILES Clc1ccccc1C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H23ClN6O/c24-20-4-2-1-3-18(20)17-7-11-29(12-8-17)10-6-16-13-28-30(14-16)22-21-19(5-9-25-22)23(31)27-15-26-21/h1-5,9,13-15,17H,6-8,10-12H2,(H,26,27,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 56n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1388-409 (2016)


BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4B


(Homo sapiens (Human))
BDBM50153097
PNG
(CHEMBL3775823)
Show SMILES Clc1ccccc1C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H23ClN6O/c24-20-4-2-1-3-18(20)17-7-11-29(12-8-17)10-6-16-13-28-30(14-16)22-21-19(5-9-25-22)23(31)27-15-26-21/h1-5,9,13-15,17H,6-8,10-12H2,(H,26,27,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 179n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s...


J Med Chem 59: 1388-409 (2016)


BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153097
PNG
(CHEMBL3775823)
Show SMILES Clc1ccccc1C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H23ClN6O/c24-20-4-2-1-3-18(20)17-7-11-29(12-8-17)10-6-16-13-28-30(14-16)22-21-19(5-9-25-22)23(31)27-15-26-21/h1-5,9,13-15,17H,6-8,10-12H2,(H,26,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 411n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair