Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity mitogen-activated protein kinase kinase 1' and Ligand = 'BDBM50141408'   

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))	BDBM50141408 ((Z)-3-Amino-3-(4-amino-phenylsulfanyl)-2-[3-(hydro...) Show SMILES Cc1ccc(cc1)C(O)c1cccc(c1)C(C#N)C(=N)Sc1ccc(N)cc1 Show InChI InChI=1S/C23H21N3OS/c1-15-5-7-16(8-6-15)22(27)18-4-2-3-17(13-18)21(14-24)23(26)28-20-11-9-19(25)10-12-20/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	390	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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