BDBM50532930 CHEMBL4542354

SMILES: CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C1CCC1

InChI Key: InChIKey=YPKVULZIHAFEPI-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 = 50532930   

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))	BDBM50532930 (CHEMBL4542354) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C1CCC1 Show InChI InChI=1S/C17H18N6O/c1-10(2)14-15(12-8-19-22(9-12)13-4-3-5-13)21-16-11(6-18)7-20-23(16)17(14)24/h7-10,13,21H,3-5H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	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))	BDBM50532930 (CHEMBL4542354) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C1CCC1 Show InChI InChI=1S/C17H18N6O/c1-10(2)14-15(12-8-19-22(9-12)13-4-3-5-13)21-16-11(6-18)7-20-23(16)17(14)24/h7-10,13,21H,3-5H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	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