BDBM50253041 CHEMBL4059597

SMILES: CC(C)c1cc(n[nH]1)C(=O)N1CCC(C1)NC(=O)C1CCC1

InChI Key: InChIKey=WFZQSICPYNAMNU-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 4 hits for monomerid = 50253041   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50253041 (CHEMBL4059597) Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CCC(C1)NC(=O)C1CCC1 Show InChI InChI=1S/C16H24N4O2/c1-10(2)13-8-14(19-18-13)16(22)20-7-6-12(9-20)17-15(21)11-4-3-5-11/h8,10-12H,3-7,9H2,1-2H3,(H,17,21)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc., 1 DNA Way, South San Francisco, CA 94080, USA. Electronic address: liang.jun@gene.com. Curated by ChEMBL					Assay Description Inhibition of KDM5A in human PC9 cells assessed as increase in H3K4me3 level after 5 days by mass-spectrometric method				Bioorg Med Chem Lett 27: 2974-2981 (2017) Article DOI: 10.1016/j.bmcl.2017.05.016 BindingDB Entry DOI: 10.7270/Q2RF5XFT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50253041 (CHEMBL4059597) Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CCC(C1)NC(=O)C1CCC1 Show InChI InChI=1S/C16H24N4O2/c1-10(2)13-8-14(19-18-13)16(22)20-7-6-12(9-20)17-15(21)11-4-3-5-11/h8,10-12H,3-7,9H2,1-2H3,(H,17,21)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Genentech Inc., 1 DNA Way, South San Francisco, CA 94080, USA. Electronic address: liang.jun@gene.com. Curated by ChEMBL					Assay Description Inhibition of KDM5A in human PC9 cells assessed as increase in H3K4me3 level after 5 days by mass-spectrometric method				Bioorg Med Chem Lett 27: 2974-2981 (2017) Article DOI: 10.1016/j.bmcl.2017.05.016 BindingDB Entry DOI: 10.7270/Q2RF5XFT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50253041 (CHEMBL4059597) Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CCC(C1)NC(=O)C1CCC1 Show InChI InChI=1S/C16H24N4O2/c1-10(2)13-8-14(19-18-13)16(22)20-7-6-12(9-20)17-15(21)11-4-3-5-11/h8,10-12H,3-7,9H2,1-2H3,(H,17,21)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc., 1 DNA Way, South San Francisco, CA 94080, USA. Electronic address: liang.jun@gene.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged KDM5A expressed in baculovirus infected Sf9 insect cells using H3K4me3 peptide as substrate af...				Bioorg Med Chem Lett 27: 2974-2981 (2017) Article DOI: 10.1016/j.bmcl.2017.05.016 BindingDB Entry DOI: 10.7270/Q2RF5XFT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50253041 (CHEMBL4059597) Show SMILES CC(C)c1cc(n[nH]1)C(=O)N1CCC(C1)NC(=O)C1CCC1 Show InChI InChI=1S/C16H24N4O2/c1-10(2)13-8-14(19-18-13)16(22)20-7-6-12(9-20)17-15(21)11-4-3-5-11/h8,10-12H,3-7,9H2,1-2H3,(H,17,21)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc., 1 DNA Way, South San Francisco, CA 94080, USA. Electronic address: liang.jun@gene.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged KDM5A expressed in baculovirus infected Sf9 insect cells using H3K4me3 peptide as substrate af...				Bioorg Med Chem Lett 27: 2974-2981 (2017) Article DOI: 10.1016/j.bmcl.2017.05.016 BindingDB Entry DOI: 10.7270/Q2RF5XFT
					More data for this Ligand-Target Pair