BDBM50532953 CHEMBL4525674

SMILES: CCc1[nH]c2c(cnn2c(=O)c1C(C)C)C#N

InChI Key: InChIKey=AOYPTCYJEACFTJ-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 = 50532953   

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))	BDBM50532953 (CHEMBL4525674) Show SMILES CCc1[nH]c2c(cnn2c(=O)c1C(C)C)C#N Show InChI InChI=1S/C12H14N4O/c1-4-9-10(7(2)3)12(17)16-11(15-9)8(5-13)6-14-16/h6-7,15H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	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))	BDBM50532953 (CHEMBL4525674) Show SMILES CCc1[nH]c2c(cnn2c(=O)c1C(C)C)C#N Show InChI InChI=1S/C12H14N4O/c1-4-9-10(7(2)3)12(17)16-11(15-9)8(5-13)6-14-16/h6-7,15H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	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