BDBM50120622 CHEMBL1304613

SMILES: Cc1cc(C)nc(Nc2nc3ccccc3s2)n1

InChI Key: InChIKey=PLHCEZLRRVUOQJ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50120622   

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
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM50120622 (CHEMBL1304613) Show SMILES Cc1cc(C)nc(Nc2nc3ccccc3s2)n1 Show InChI InChI=1S/C13H12N4S/c1-8-7-9(2)15-12(14-8)17-13-16-10-5-3-4-6-11(10)18-13/h3-7H,1-2H3,(H,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rashtrasant Tukadoji Maharaj Nagpur University Curated by ChEMBL					Assay Description Inhibition of MLCK (unknown origin) incubated for 15 mins using [gamma-32P]-ATP by scintillation counting method				Bioorg Med Chem 23: 6689-713 (2015) BindingDB Entry DOI: 10.7270/Q2P55Q95
					More data for this Ligand-Target Pair