Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 328.3 BDBM14175

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mitogen-activated protein kinase kinase kinase 11 (Homo sapiens (Human))	BDBM14175 (3-thia-13,23-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9...) Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21 Show InChI InChI=1S/C20H12N2OS/c23-20-17-12(9-21-20)15-11-6-2-4-8-14(11)24-19(15)18-16(17)10-5-1-3-7-13(10)22-18/h1-8,22H,9H2,(H,21,23)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon					Assay Description The MLK1, MLK2, and MLK3 assays were performed using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. IC50 values were calculate...				J Med Chem 50: 433-41 (2007) Article DOI: 10.1021/jm051074u BindingDB Entry DOI: 10.7270/Q2HT2MJX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (Homo sapiens (Human))	BDBM14175 (3-thia-13,23-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9...) Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21 Show InChI InChI=1S/C20H12N2OS/c23-20-17-12(9-21-20)15-11-6-2-4-8-14(11)24-19(15)18-16(17)10-5-1-3-7-13(10)22-18/h1-8,22H,9H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	7.2	37
Cephalon					Assay Description The MLK1, MLK2, and MLK3 assays were performed using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. IC50 values were calculate...				J Med Chem 50: 433-41 (2007) Article DOI: 10.1021/jm051074u BindingDB Entry DOI: 10.7270/Q2HT2MJX
					More data for this Ligand-Target Pair