BDBM50532929 CHEMBL4548921

SMILES: CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)-c1ccccc1

InChI Key: InChIKey=VDGJHWTVKNMVKW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50532929   

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))	BDBM50532929 (CHEMBL4548921) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)-c1ccccc1 Show InChI InChI=1S/C19H16N6O/c1-12(2)16-17(23-18-13(8-20)9-22-25(18)19(16)26)14-10-21-24(11-14)15-6-4-3-5-7-15/h3-7,9-12,23H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin)				Bioorg Med Chem Lett 26: 4036-41 (2016) Article DOI: 10.1016/j.bmcl.2016.06.078
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50532929 (CHEMBL4548921) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)-c1ccccc1 Show InChI InChI=1S/C19H16N6O/c1-12(2)16-17(23-18-13(8-20)9-22-25(18)19(16)26)14-10-21-24(11-14)15-6-4-3-5-7-15/h3-7,9-12,23H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin)				Bioorg Med Chem Lett 26: 4036-41 (2016) Article DOI: 10.1016/j.bmcl.2016.06.078
					More data for this Ligand-Target Pair