BDBM50120615 CHEMBL3618290

SMILES: COc1cc(ccc1O)C1N2C(Sc3ccccc23)=NC(C)=C1C(C)=O

InChI Key: InChIKey=GJKGFROXICAQSH-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 = 50120615   

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))	BDBM50120615 (CHEMBL3618290) Show SMILES COc1cc(ccc1O)C1N2C(Sc3ccccc23)=NC(C)=C1C(C)=O |c:21,24| Show InChI InChI=1S/C20H18N2O3S/c1-11-18(12(2)23)19(13-8-9-15(24)16(10-13)25-3)22-14-6-4-5-7-17(14)26-20(22)21-11/h4-10,19,24H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.67E+10	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))	BDBM50120615 (CHEMBL3618290) Show SMILES COc1cc(ccc1O)C1N2C(Sc3ccccc23)=NC(C)=C1C(C)=O |c:21,24| Show InChI InChI=1S/C20H18N2O3S/c1-11-18(12(2)23)19(13-8-9-15(24)16(10-13)25-3)22-14-6-4-5-7-17(14)26-20(22)21-11/h4-10,19,24H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.67E+3	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