Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 363.4 BDBM50141414

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

Found 1 hit 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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141414 ((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(furan...) Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1ccco1 Show InChI InChI=1S/C20H17N3O2S/c21-12-15(20(23)26-18-9-2-1-7-16(18)22)13-5-3-6-14(11-13)19(24)17-8-4-10-25-17/h1-11,15,19,23-24H,22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	323	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair