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SMILES: CCCC(=O)N1CC(C1)n1cc(nn1)-c1cc(ccn1)C(O)=O

InChI Key: InChIKey=XJLJBXJAYCZGEJ-UHFFFAOYSA-N

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 = 50498664   
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 4A


(Homo sapiens (Human))
BDBM50498664
PNG
(CHEMBL3621867)
Show SMILES CCCC(=O)N1CC(C1)n1cc(nn1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H17N5O3/c1-2-3-14(21)19-7-11(8-19)20-9-13(17-18-20)12-6-10(15(22)23)4-5-16-12/h4-6,9,11H,2-3,7-8H2,1H3,(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.01E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4A (unknown origin) using H3(1-21)K9Me3-GGK-biotin substrate by alpha screen assay


Medchemcomm 5: 1879-1886 (2014)


Article DOI: 10.1039/C4MD00291A
BindingDB Entry DOI: 10.7270/Q2KH0RBN
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens (Human))
BDBM50498664
PNG
(CHEMBL3621867)
Show SMILES CCCC(=O)N1CC(C1)n1cc(nn1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H17N5O3/c1-2-3-14(21)19-7-11(8-19)20-9-13(17-18-20)12-6-10(15(22)23)4-5-16-12/h4-6,9,11H,2-3,7-8H2,1H3,(H,22,23)
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UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a<1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) using H3(1-21)K9Me2-GGK-biotin substrate incubated for 5 mins by alpha screen assay


Medchemcomm 5: 1879-1886 (2014)


Article DOI: 10.1039/C4MD00291A
BindingDB Entry DOI: 10.7270/Q2KH0RBN
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50498664
PNG
(CHEMBL3621867)
Show SMILES CCCC(=O)N1CC(C1)n1cc(nn1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H17N5O3/c1-2-3-14(21)19-7-11(8-19)20-9-13(17-18-20)12-6-10(15(22)23)4-5-16-12/h4-6,9,11H,2-3,7-8H2,1H3,(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.94E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) using H3(1-21)K9Me3-GGK-biotin substrate incubated for 15 mins by alpha screen assay


Medchemcomm 5: 1879-1886 (2014)


Article DOI: 10.1039/C4MD00291A
BindingDB Entry DOI: 10.7270/Q2KH0RBN
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50498664
PNG
(CHEMBL3621867)
Show SMILES CCCC(=O)N1CC(C1)n1cc(nn1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H17N5O3/c1-2-3-14(21)19-7-11(8-19)20-9-13(17-18-20)12-6-10(15(22)23)4-5-16-12/h4-6,9,11H,2-3,7-8H2,1H3,(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.31E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM6B (unknown origin) using H3(21-44)K27Me3-GK-biotin substrate incubated for 5 mins by alpha screen assay


Medchemcomm 5: 1879-1886 (2014)


Article DOI: 10.1039/C4MD00291A
BindingDB Entry DOI: 10.7270/Q2KH0RBN
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50498664
PNG
(CHEMBL3621867)
Show SMILES CCCC(=O)N1CC(C1)n1cc(nn1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H17N5O3/c1-2-3-14(21)19-7-11(8-19)20-9-13(17-18-20)12-6-10(15(22)23)4-5-16-12/h4-6,9,11H,2-3,7-8H2,1H3,(H,22,23)
PDB
MMDB

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antibodypedia
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PC sid
UniChem
Article
PubMed
n/an/a 6.31E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using H3(1-21)K4Me3-GGK-biotin substrate incubated for 20 mins by alpha screen assay


Medchemcomm 5: 1879-1886 (2014)


Article DOI: 10.1039/C4MD00291A
BindingDB Entry DOI: 10.7270/Q2KH0RBN
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50498664
PNG
(CHEMBL3621867)
Show SMILES CCCC(=O)N1CC(C1)n1cc(nn1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H17N5O3/c1-2-3-14(21)19-7-11(8-19)20-9-13(17-18-20)12-6-10(15(22)23)4-5-16-12/h4-6,9,11H,2-3,7-8H2,1H3,(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.01E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM2A (unknown origin) using Biotin-H3(28-48)K36Me2 and H3(28-48)K36Me2 substrates incubated for 30 mins by alpha screen assay


Medchemcomm 5: 1879-1886 (2014)


Article DOI: 10.1039/C4MD00291A
BindingDB Entry DOI: 10.7270/Q2KH0RBN
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4E


(Homo sapiens (Human))
BDBM50498664
PNG
(CHEMBL3621867)
Show SMILES CCCC(=O)N1CC(C1)n1cc(nn1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H17N5O3/c1-2-3-14(21)19-7-11(8-19)20-9-13(17-18-20)12-6-10(15(22)23)4-5-16-12/h4-6,9,11H,2-3,7-8H2,1H3,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.94E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) by alpha screen assay


Medchemcomm 5: 1879-1886 (2014)


Article DOI: 10.1039/C4MD00291A
BindingDB Entry DOI: 10.7270/Q2KH0RBN
More data for this
Ligand-Target Pair