Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase 3' and Ligand = 'BDBM50256931'   

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 protein phosphatase 3 (Homo sapiens (Human))	BDBM50256931 (CHEMBL1186032) Show SMILES [H][C@@]12CCC=C(COC(=O)c3ccc[nH]3)[C@]1(C)CC[C@H](C)[C@@]2(C)CC\C(C)=C\Cn1c[n+](C)c2ncnc(N)c12 |r,t:4| Show InChI InChI=1S/C31H42N6O2/c1-21(13-17-37-20-36(5)28-26(37)27(32)34-19-35-28)11-14-30(3)22(2)12-15-31(4)23(8-6-10-25(30)31)18-39-29(38)24-9-7-16-33-24/h7-9,13,16,19-20,22,25H,6,10-12,14-15,17-18H2,1-5H3,(H2-,32,33,34,35,38)/p+1/b21-13+/t22-,25-,30+,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Natural Product Chemistry, Faculty of Pharmaceutical Sciences, Tohoku Medical and Pharmaceutical University, Aoba-ku, Sendai 981-8558, Japan. Electronic address: yamazaki@tohoku-mpu.ac. Curated by ChEMBL					Assay Description Inhibition of human recombinant VHR expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition mea...				Bioorg Med Chem Lett 27: 2207-2209 (2017) Article DOI: 10.1016/j.bmcl.2017.03.033 BindingDB Entry DOI: 10.7270/Q2XP77DT
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