BindingDB PrimarySearch

BDBM50396018 CHEMBL1230640

SMILES: OC(=O)c1ccc(O)c2ncccc12

InChI Key: InChIKey=JGRPKOGHYBAVMW-UHFFFAOYSA-N

Data: 21 IC50 1 Kd 1 EC50

PDB links: 7 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50396018
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Lysine-specific demethylase 4A (KDM4A) (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay				Eur J Med Chem 105: 145-55 (2015) BindingDB Entry DOI: 10.7270/Q2ZG6V2N
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant human PHD2 using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-asc...				Bioorg Med Chem 27: 2405-2412 (2019) Article DOI: 10.1016/j.bmc.2019.01.018
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Histone Lysine Demethylase (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged KDM4E catalytic domain (1 to 337 residues) expressed in Escherichia coli using ARK(me3)STGGK as substrate ...				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	n/a	8.70E+4	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human Flag-tagged KDM4A expressed in human HeLa cells assessed as increase in H3K9me3 level after 24 hrs by DAPI staining based immunof...				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4A (KDM4A) (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JMJD2A catalytic domain by mass spectrophotometric analysis				Eur J Med Chem 56: 179-194 (2012) Article DOI: 10.1016/j.ejmech.2012.08.010 BindingDB Entry DOI: 10.7270/Q2TQ62NX
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone Lysine Demethylase (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JMJD2E catalytic domain by mass spectrophotometric analysis				Eur J Med Chem 56: 179-194 (2012) Article DOI: 10.1016/j.ejmech.2012.08.010 BindingDB Entry DOI: 10.7270/Q2TQ62NX
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human hexahistidine-tagged full-length FTO expressed in Escherichia coli BL21 (DE3) using 3-methylthymidine as substrate assessed as in...				J Med Chem 56: 3680-8 (2013) Article DOI: 10.1021/jm400193d BindingDB Entry DOI: 10.7270/Q21V5GBQ
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis				J Med Chem 56: 547-55 (2013) Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 3A (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM3A (unknown origin)				Medchemcomm 5: 1879-1886 (2014) Article DOI: 10.1039/c4md00291a BindingDB Entry DOI: 10.7270/Q2KH0RBN
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A) (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM2A (unknown origin)				Medchemcomm 5: 1879-1886 (2014) Article DOI: 10.1039/c4md00291a BindingDB Entry DOI: 10.7270/Q2KH0RBN
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM4C (unknown origin)				Medchemcomm 5: 1879-1886 (2014) Article DOI: 10.1039/c4md00291a BindingDB Entry DOI: 10.7270/Q2KH0RBN
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Histone Lysine Demethylase (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM4E (unknown origin)				Medchemcomm 5: 1879-1886 (2014) Article DOI: 10.1039/c4md00291a BindingDB Entry DOI: 10.7270/Q2KH0RBN
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 6B (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM6B (unknown origin)				Medchemcomm 5: 1879-1886 (2014) Article DOI: 10.1039/c4md00291a BindingDB Entry DOI: 10.7270/Q2KH0RBN
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM5C (unknown origin)				Medchemcomm 5: 1879-1886 (2014) Article DOI: 10.1039/c4md00291a BindingDB Entry DOI: 10.7270/Q2KH0RBN
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/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
Sapienza University of Rome Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 3A (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/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
Sapienza University of Rome Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 6B (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/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
Sapienza University of Rome Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone Lysine Demethylase (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/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
Sapienza University of Rome Curated by ChEMBL					More data for this Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A) (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/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
Sapienza University of Rome Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/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
Sapienza University of Rome Curated by ChEMBL					More data for this Ligand-Target Pair
Prolyl 4-hydroxylase (Paramecium bursaria Chlorella virus 1)	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Paramecium bursaria chlorella virus 1 CPH expressed in Escherichia coli Rosetta 2 (DE3) cells pre-in...				Bioorg Med Chem 27: 2405-2412 (2019) Article DOI: 10.1016/j.bmc.2019.01.018
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Histone Lysine Demethylase (Homo sapiens (Human))	BDBM50396018 (CHEMBL1230640) Show SMILES OC(=O)c1ccc(O)c2ncccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged KDM4E catalytic domain (1 to 337 residues) expressed in Escherichia coli using ARK(me3)STGGK as substrate ...				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair