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BDBM50436039 CHEMBL2392185

SMILES: NCc1ccc(CNCCCCN(O)C(=O)\C=C\C(O)=O)cc1

InChI Key: InChIKey=JPGKFNDWKVWMNI-BQYQJAHWSA-N

Data: 3 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 3 hits for monomerid = 50436039   
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
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50436039
PNG
(CHEMBL2392185)
Show SMILES NCc1ccc(CNCCCCN(O)C(=O)\C=C\C(O)=O)cc1
Show InChI InChI=1S/C16H23N3O4/c17-11-13-3-5-14(6-4-13)12-18-9-1-2-10-19(23)15(20)7-8-16(21)22/h3-8,18,23H,1-2,9-12,17H2,(H,21,22)/b8-7+
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 420n/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibition of recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 using SAPATGGVK(Me2)KPHRYRPGTVAL as substrate incub...


J Med Chem 56: 5198-202 (2013)


Article DOI: 10.1021/jm3018628
BindingDB Entry DOI: 10.7270/Q2VM4DNK
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50436039
PNG
(CHEMBL2392185)
Show SMILES NCc1ccc(CNCCCCN(O)C(=O)\C=C\C(O)=O)cc1
Show InChI InChI=1S/C16H23N3O4/c17-11-13-3-5-14(6-4-13)12-18-9-1-2-10-19(23)15(20)7-8-16(21)22/h3-8,18,23H,1-2,9-12,17H2,(H,21,22)/b8-7+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibition of JMJD2A (unknown origin)


J Med Chem 56: 5198-202 (2013)


Article DOI: 10.1021/jm3018628
BindingDB Entry DOI: 10.7270/Q2VM4DNK
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50436039
PNG
(CHEMBL2392185)
Show SMILES NCc1ccc(CNCCCCN(O)C(=O)\C=C\C(O)=O)cc1
Show InChI InChI=1S/C16H23N3O4/c17-11-13-3-5-14(6-4-13)12-18-9-1-2-10-19(23)15(20)7-8-16(21)22/h3-8,18,23H,1-2,9-12,17H2,(H,21,22)/b8-7+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibition of recombinant 6xHis-tagged JMJD3 (unknown origin) expressed in Escherichia coli BL21


J Med Chem 56: 5198-202 (2013)


Article DOI: 10.1021/jm3018628
BindingDB Entry DOI: 10.7270/Q2VM4DNK
More data for this
Ligand-Target Pair