Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM22042'   

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 1 (Homo sapiens (Human))	BDBM22042 ((3Z)-5-bromo-3-[3-(3-chlorophenyl)-4-oxo-2-thioxo-...) Show SMILES Clc1cccc(c1)N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(Br)cc12 Show InChI InChI=1S/C17H8BrClN2O2S2/c18-8-4-5-12-11(6-8)13(15(22)20-12)14-16(23)21(17(24)25-14)10-3-1-2-9(19)7-10/h1-7H,(H,20,22)/b14-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a	7.5	22
The Rockefeller University					Assay Description Kinase activity was assayed for autophosphorylation and phosphorylation of MBP with radio-labeled gamma-32P. IC50 values were calculated from binding...				J Med Chem 50: 3980-3 (2007) Article DOI: 10.1021/jm070645a BindingDB Entry DOI: 10.7270/Q2ZW1J6Z
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