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BDBM26119 2-[4-(methoxycarbonyl)pyridin-2-yl]pyridine-4-carboxylic acid::bipyridine analogue, 7

SMILES: COC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O

InChI Key: InChIKey=GDIPAQOCWAFNMZ-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 26119   
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
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM26119
PNG
(2-[4-(methoxycarbonyl)pyridin-2-yl]pyridine-4-carb...)
Show SMILES COC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C13H10N2O4/c1-19-13(18)9-3-5-15-11(7-9)10-6-8(12(16)17)2-4-14-10/h2-7H,1H3,(H,16,17)
PDB
MMDB

KEGG

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UniChem
Article
PubMed
n/an/a 6.60E+3n/an/an/an/a7.537



University of Oxford



Assay Description
A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...


J Med Chem 51: 7053-6 (2008)


Article DOI: 10.1021/jm800936s
BindingDB Entry DOI: 10.7270/Q2959FV4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM26119
PNG
(2-[4-(methoxycarbonyl)pyridin-2-yl]pyridine-4-carb...)
Show SMILES COC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C13H10N2O4/c1-19-13(18)9-3-5-15-11(7-9)10-6-8(12(16)17)2-4-14-10/h2-7H,1H3,(H,16,17)
PDB
MMDB

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UniChem
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n/an/a 30n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JARID1C (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM26119
PNG
(2-[4-(methoxycarbonyl)pyridin-2-yl]pyridine-4-carb...)
Show SMILES COC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C13H10N2O4/c1-19-13(18)9-3-5-15-11(7-9)10-6-8(12(16)17)2-4-14-10/h2-7H,1H3,(H,16,17)
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UniChem
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged LSD1 (171 to 836) assessed as hydrogen peroxide formation after 5 mins


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM26119
PNG
(2-[4-(methoxycarbonyl)pyridin-2-yl]pyridine-4-carb...)
Show SMILES COC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C13H10N2O4/c1-19-13(18)9-3-5-15-11(7-9)10-6-8(12(16)17)2-4-14-10/h2-7H,1H3,(H,16,17)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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UniChem
Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant FBXL11 (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM26119
PNG
(2-[4-(methoxycarbonyl)pyridin-2-yl]pyridine-4-carb...)
Show SMILES COC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C13H10N2O4/c1-19-13(18)9-3-5-15-11(7-9)10-6-8(12(16)17)2-4-14-10/h2-7H,1H3,(H,16,17)
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PC sid
UniChem
Article
PubMed
n/an/a 1.12E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD3 (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM26119
PNG
(2-[4-(methoxycarbonyl)pyridin-2-yl]pyridine-4-carb...)
Show SMILES COC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C13H10N2O4/c1-19-13(18)9-3-5-15-11(7-9)10-6-8(12(16)17)2-4-14-10/h2-7H,1H3,(H,16,17)
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UniChem
Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2C (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens (Human))
BDBM26119
PNG
(2-[4-(methoxycarbonyl)pyridin-2-yl]pyridine-4-carb...)
Show SMILES COC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C13H10N2O4/c1-19-13(18)9-3-5-15-11(7-9)10-6-8(12(16)17)2-4-14-10/h2-7H,1H3,(H,16,17)
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UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD1A (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM26119
PNG
(2-[4-(methoxycarbonyl)pyridin-2-yl]pyridine-4-carb...)
Show SMILES COC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C13H10N2O4/c1-19-13(18)9-3-5-15-11(7-9)10-6-8(12(16)17)2-4-14-10/h2-7H,1H3,(H,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2E (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair