BDBM50532922 CHEMBL4464271

SMILES: COCCn1cc(cn1)-c1[nH]c2c(cnn2c(=O)c1C(C)C)C#N

InChI Key: InChIKey=BFKOJILIFLJOJG-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 = 50532922   

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))	BDBM50532922 (CHEMBL4464271) Show SMILES COCCn1cc(cn1)-c1[nH]c2c(cnn2c(=O)c1C(C)C)C#N Show InChI InChI=1S/C16H18N6O2/c1-10(2)13-14(12-8-18-21(9-12)4-5-24-3)20-15-11(6-17)7-19-22(15)16(13)23/h7-10,20H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	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))	BDBM50532922 (CHEMBL4464271) Show SMILES COCCn1cc(cn1)-c1[nH]c2c(cnn2c(=O)c1C(C)C)C#N Show InChI InChI=1S/C16H18N6O2/c1-10(2)13-14(12-8-18-21(9-12)4-5-24-3)20-15-11(6-17)7-19-22(15)16(13)23/h7-10,20H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	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