BDBM50120603 CHEMBL550810

SMILES: CCOC(=O)C1=C(C)NC(OC)N(CC(=O)c2ccc(Cl)cc2)C1c1ccc(O)cc1

InChI Key: InChIKey=COOZCFOSTIFBTB-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 = 50120603   

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))	BDBM50120603 (CHEMBL550810) Show SMILES CCOC(=O)C1=C(C)NC(OC)N(CC(=O)c2ccc(Cl)cc2)C1c1ccc(O)cc1 |c:5| Show InChI InChI=1S/C23H25ClN2O5/c1-4-31-22(29)20-14(2)25-23(30-3)26(21(20)16-7-11-18(27)12-8-16)13-19(28)15-5-9-17(24)10-6-15/h5-12,21,23,25,27H,4,13H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.52E+11	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
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM50120603 (CHEMBL550810) Show SMILES CCOC(=O)C1=C(C)NC(OC)N(CC(=O)c2ccc(Cl)cc2)C1c1ccc(O)cc1 |c:5| Show InChI InChI=1S/C23H25ClN2O5/c1-4-31-22(29)20-14(2)25-23(30-3)26(21(20)16-7-11-18(27)12-8-16)13-19(28)15-5-9-17(24)10-6-15/h5-12,21,23,25,27H,4,13H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.52E+4	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