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BDBM50152097 CHEMBL3774747

SMILES: CN(CCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(F)cc1

InChI Key: InChIKey=NLGUSOLKPNWPKR-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50152097   
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 3A


(Homo sapiens)
BDBM50152097
PNG
(CHEMBL3774747)
Show SMILES CN(CCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28)
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PubMed
n/an/a 1.39E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) using biotin-H3K9me2 (1 to 21 residues) as substrate preincubated for 15 mins followed by substrate addition mea...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50152097
PNG
(CHEMBL3774747)
Show SMILES CN(CCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28)
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PubMed
n/an/a 42n/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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4B


(Homo sapiens)
BDBM50152097
PNG
(CHEMBL3774747)
Show SMILES CN(CCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28)
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PubMed
n/an/a 390n/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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50152097
PNG
(CHEMBL3774747)
Show SMILES CN(CCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28)
PDB
MMDB

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PubMed
n/an/a 1.34E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM2A (unknown origin) using biotin-H3K36me2 (28 to 48 residues) as substrate preincubated for 15 mins followed by substrate addition m...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50152097
PNG
(CHEMBL3774747)
Show SMILES CN(CCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28)
PDB
MMDB

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PC sid
UniChem

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PubMed
n/an/a 78n/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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B (KDM6B)


(Homo sapiens (Human))
BDBM50152097
PNG
(CHEMBL3774747)
Show SMILES CN(CCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28)
PDB

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PubMed
n/an/a 2.63E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM6B (unknown origin) using biotin-H3K27me3 (21 to 44 residues) as substrate preincubated for 15 mins followed by substrate addition m...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50152097
PNG
(CHEMBL3774747)
Show SMILES CN(CCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 900n/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 ...


Citation and Details
More data for this
Ligand-Target Pair