Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 387.4 BDBM50141420

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))	BDBM50141420 ((Z)-3-Amino-3-(4-amino-phenylsulfanyl)-2-[3-(hydro...) Show SMILES Cc1cccc(c1)C(O)c1cccc(c1)C(C#N)C(=N)Sc1ccc(N)cc1 Show InChI InChI=1S/C23H21N3OS/c1-15-4-2-6-17(12-15)22(27)18-7-3-5-16(13-18)21(14-24)23(26)28-20-10-8-19(25)9-11-20/h2-13,21-22,26-27H,25H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	503	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
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