BDBM50533312 CHEMBL4557175

SMILES: CCCc1c(C)[nH]c2c(cnn2c1=O)C#N

InChI Key: InChIKey=WAFHERXYLATZML-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 = 50533312   

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))	BDBM50533312 (CHEMBL4557175) Show SMILES CCCc1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C11H12N4O/c1-3-4-9-7(2)14-10-8(5-12)6-13-15(10)11(9)16/h6,14H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay				Bioorg Med Chem Lett 26: 4350-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.026
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50533312 (CHEMBL4557175) Show SMILES CCCc1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C11H12N4O/c1-3-4-9-7(2)14-10-8(5-12)6-13-15(10)11(9)16/h6,14H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay				Bioorg Med Chem Lett 26: 4350-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.026
					More data for this Ligand-Target Pair