BindingDB PrimarySearch

BDBM50395076 CHEMBL2164243

SMILES: CN(C)NC(=O)CCC(O)=O

InChI Key: InChIKey=NOQGZXFMHARMLW-UHFFFAOYSA-N

Data: 2 KI 16 IC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50395076
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
Homo sapiens lysine demethylase 2A (KDM2A) (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Competitive inhibition of human KDM2A expressed in Escherichia coli using 2-oxoglutarate by enzyme kinetic assay				J Med Chem 55: 6639-43 (2012) Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A) (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Mixed type inhibition of human KDM2A expressed in Escherichia coli assessed inhibition constant for compound-enzyme-substrate complex using methyl ly...				J Med Chem 55: 6639-43 (2012) Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Egl nine homolog 1 (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHD2 expressed in Escherichia coli by fluorescence based assay				J Med Chem 55: 6639-43 (2012) Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH) (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human FIH expressed in Escherichia coli by MALDI assay				J Med Chem 55: 6639-43 (2012) Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 6B (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human KDM6B catalytic domain expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay				J Med Chem 55: 6639-43 (2012) Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human KDM5C catalytic domain expressed in Sf9 cells using methyl lysine peptide substrate by AlphaScreen assay				J Med Chem 55: 6639-43 (2012) Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Prolyl 4-hydroxylase (Paramecium bursaria Chlorella virus 1)	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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
Lysine-specific demethylase 7 (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human KDM7A catalytic domain expressed in Escherichia coli by MALDI assay				J Med Chem 55: 6639-43 (2012) Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Histone lysine demethylase PHF8 (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay				J Med Chem 55: 6639-43 (2012) Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Homo sapiens lysine demethylase 2A (KDM2A) (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay				J Med Chem 55: 6639-43 (2012) Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 6A (KDM6A) (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Prefectural University of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM6A after 1 hr				J Med Chem 56: 7222-31 (2013) Article DOI: 10.1021/jm400624b BindingDB Entry DOI: 10.7270/Q2SB475V
Kyoto Prefectural University of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A) (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Prefectural University of Medicine Curated by ChEMBL					Assay Description Inhibition of KDM2A (unknown origin)				J Med Chem 56: 7222-31 (2013) Article DOI: 10.1021/jm400624b BindingDB Entry DOI: 10.7270/Q2SB475V
Kyoto Prefectural University of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.20E+6	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Prefectural University of Medicine Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using H3K4me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay				J Med Chem 56: 7222-31 (2013) Article DOI: 10.1021/jm400624b BindingDB Entry DOI: 10.7270/Q2SB475V
Kyoto Prefectural University of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Prefectural University of Medicine Curated by ChEMBL					Assay Description Inhibition of KDM4C (unknown origin) using H3K9me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay				J Med Chem 56: 7222-31 (2013) Article DOI: 10.1021/jm400624b BindingDB Entry DOI: 10.7270/Q2SB475V
Kyoto Prefectural University of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A) (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>3.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Prefectural University of Medicine Curated by ChEMBL					Assay Description Inhibition of KDM4A (unknown origin) using H3K9me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay				J Med Chem 56: 7222-31 (2013) Article DOI: 10.1021/jm400624b BindingDB Entry DOI: 10.7270/Q2SB475V
Kyoto Prefectural University of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX1 by fluorescence based assay				J Med Chem 55: 6639-43 (2012) Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A) (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human KDM2A expressed in Escherichia coli by formaldehyde dehydrogenase coupled assay				J Med Chem 55: 6639-43 (2012) Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Histone Lysine Demethylase (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay				J Med Chem 55: 6639-43 (2012) Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair