Marvin 2D Structure

Wt: 154.1 BDBM50163389

Wt: 513.5 BDBM50594963

Wt: 495.5 BDBM50594964

Wt: 551.6 BDBM50594965

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 12 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50163389 (CHEMBL3793278) Show SMILES NNc1nccc(n1)C(O)=O Show InChI InChI=1S/C5H6N4O2/c6-9-5-7-2-1-3(8-5)4(10)11/h1-2H,6H2,(H,10,11)(H,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Probable JmjC domain-containing histone demethylation protein 2C (Homo sapiens (Human))	BDBM50163389 (CHEMBL3793278) Show SMILES NNc1nccc(n1)C(O)=O Show InChI InChI=1S/C5H6N4O2/c6-9-5-7-2-1-3(8-5)4(10)11/h1-2H,6H2,(H,10,11)(H,7,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM3C (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM50163389 (CHEMBL3793278) Show SMILES NNc1nccc(n1)C(O)=O Show InChI InChI=1S/C5H6N4O2/c6-9-5-7-2-1-3(8-5)4(10)11/h1-2H,6H2,(H,10,11)(H,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM4E (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 3A (Homo sapiens (Human))	BDBM50163389 (CHEMBL3793278) Show SMILES NNc1nccc(n1)C(O)=O Show InChI InChI=1S/C5H6N4O2/c6-9-5-7-2-1-3(8-5)4(10)11/h1-2H,6H2,(H,10,11)(H,7,8,9)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM3A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 6B (Homo sapiens (Human))	BDBM50163389 (CHEMBL3793278) Show SMILES NNc1nccc(n1)C(O)=O Show InChI InChI=1S/C5H6N4O2/c6-9-5-7-2-1-3(8-5)4(10)11/h1-2H,6H2,(H,10,11)(H,7,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM6B (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50163389 (CHEMBL3793278) Show SMILES NNc1nccc(n1)C(O)=O Show InChI InChI=1S/C5H6N4O2/c6-9-5-7-2-1-3(8-5)4(10)11/h1-2H,6H2,(H,10,11)(H,7,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5B (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...				Bioorg Med Chem Lett 26: 2284-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.048 BindingDB Entry DOI: 10.7270/Q2XP76TS
					More data for this Ligand-Target Pair
Probable JmjC domain-containing histone demethylation protein 2C (Homo sapiens (Human))	BDBM50594963 (CHEMBL5191875) Show SMILES [H][C@]12OC[C@H](NS(=O)(=O)c3ccc(NC(C)=O)cc3)[C@@]1([H])OC[C@@H]2Nc1nccc(n1)-c1cccc(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.67E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114143 BindingDB Entry DOI: 10.7270/Q28W3J9V
					More data for this Ligand-Target Pair
Probable JmjC domain-containing histone demethylation protein 2C (Homo sapiens (Human))	BDBM50594964 (CHEMBL5193187) Show SMILES [H][C@]12OC[C@H](NS(=O)(=O)c3ccc(NC(C)=O)cc3)[C@@]1([H])OC[C@@H]2Nc1nccc(n1)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114143 BindingDB Entry DOI: 10.7270/Q28W3J9V
					More data for this Ligand-Target Pair
Probable JmjC domain-containing histone demethylation protein 2C (Homo sapiens (Human))	BDBM50594965 (CHEMBL5173150) Show SMILES [H][C@]12OC[C@H](NS(=O)(=O)c3ccc(NC(C)=O)cc3)[C@@]1([H])OC[C@@H]2Nc1nccc(n1)-c1cccc(c1)C(C)(C)C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.06E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114143 BindingDB Entry DOI: 10.7270/Q28W3J9V
					More data for this Ligand-Target Pair
Lysine-specific demethylase 3B (Homo sapiens (Human))	BDBM50594963 (CHEMBL5191875) Show SMILES [H][C@]12OC[C@H](NS(=O)(=O)c3ccc(NC(C)=O)cc3)[C@@]1([H])OC[C@@H]2Nc1nccc(n1)-c1cccc(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114143 BindingDB Entry DOI: 10.7270/Q28W3J9V
					More data for this Ligand-Target Pair
Lysine-specific demethylase 3B (Homo sapiens (Human))	BDBM50594964 (CHEMBL5193187) Show SMILES [H][C@]12OC[C@H](NS(=O)(=O)c3ccc(NC(C)=O)cc3)[C@@]1([H])OC[C@@H]2Nc1nccc(n1)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114143 BindingDB Entry DOI: 10.7270/Q28W3J9V
					More data for this Ligand-Target Pair
Lysine-specific demethylase 3B (Homo sapiens (Human))	BDBM50594965 (CHEMBL5173150) Show SMILES [H][C@]12OC[C@H](NS(=O)(=O)c3ccc(NC(C)=O)cc3)[C@@]1([H])OC[C@@H]2Nc1nccc(n1)-c1cccc(c1)C(C)(C)C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.79E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114143 BindingDB Entry DOI: 10.7270/Q28W3J9V
					More data for this Ligand-Target Pair