BDBM50120595 CHEMBL3618301

SMILES: CCc1nc(Nc2nc3ccccc3s2)nc(C)c1C(C)=O

InChI Key: InChIKey=ZCHKNSORJMZOON-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 = 50120595   

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))	BDBM50120595 (CHEMBL3618301) Show SMILES CCc1nc(Nc2nc3ccccc3s2)nc(C)c1C(C)=O Show InChI InChI=1S/C16H16N4OS/c1-4-11-14(10(3)21)9(2)17-15(18-11)20-16-19-12-7-5-6-8-13(12)22-16/h5-8H,4H2,1-3H3,(H,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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