BDBM50532946 CHEMBL4435805

SMILES: O=c1c(C2CCC2)c([nH]c2c(cnn12)C#N)-c1ccccc1

InChI Key: InChIKey=MPWSLRKXNOJDPI-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 = 50532946   

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))	BDBM50532946 (CHEMBL4435805) Show SMILES O=c1c(C2CCC2)c([nH]c2c(cnn12)C#N)-c1ccccc1 Show InChI InChI=1S/C17H14N4O/c18-9-13-10-19-21-16(13)20-15(12-5-2-1-3-6-12)14(17(21)22)11-7-4-8-11/h1-3,5-6,10-11,20H,4,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	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))	BDBM50532946 (CHEMBL4435805) Show SMILES O=c1c(C2CCC2)c([nH]c2c(cnn12)C#N)-c1ccccc1 Show InChI InChI=1S/C17H14N4O/c18-9-13-10-19-21-16(13)20-15(12-5-2-1-3-6-12)14(17(21)22)11-7-4-8-11/h1-3,5-6,10-11,20H,4,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	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