Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 452.5 BDBM24952

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 9 (Homo sapiens (Human))	BDBM24952 (20-(cyclopentyloxy)-3-(2-hydroxyethyl)-3,13-diazah...) Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OC5CCCC5)ccc-34)c12 Show InChI InChI=1S/C29H28N2O3/c32-14-13-31-24-8-4-3-7-21(24)26-23-16-30-29(33)27(23)25-20-12-10-19(34-18-5-1-2-6-18)15-17(20)9-11-22(25)28(26)31/h3-4,7-8,10,12,15,18,32H,1-2,5-6,9,11,13-14,16H2,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	7.2	37
Cephalon					Assay Description The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...				J Med Chem 51: 5680-9 (2008) Article DOI: 10.1021/jm8005838 BindingDB Entry DOI: 10.7270/Q2TH8K09
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11 (Homo sapiens (Human))	BDBM24952 (20-(cyclopentyloxy)-3-(2-hydroxyethyl)-3,13-diazah...) Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OC5CCCC5)ccc-34)c12 Show InChI InChI=1S/C29H28N2O3/c32-14-13-31-24-8-4-3-7-21(24)26-23-16-30-29(33)27(23)25-20-12-10-19(34-18-5-1-2-6-18)15-17(20)9-11-22(25)28(26)31/h3-4,7-8,10,12,15,18,32H,1-2,5-6,9,11,13-14,16H2,(H,30,33)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon					Assay Description The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...				J Med Chem 51: 5680-9 (2008) Article DOI: 10.1021/jm8005838 BindingDB Entry DOI: 10.7270/Q2TH8K09
					More data for this Ligand-Target Pair