Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 11' and Ligand = 'BDBM464084'   

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 kinase kinase 11 (Homo sapiens (Human))	BDBM464084 (US10787436, Compound I-20) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cc(Nc2ncc(C)c(n2)-c2c[nH]c3ccccc23)c(Cl)cc1C Show InChI InChI=1S/C33H32ClN7O2/c1-20-16-26(34)29(39-33-36-18-21(2)31(40-33)25-19-35-27-9-6-5-8-24(25)27)17-28(20)38-32(43)22-11-13-23(14-12-22)37-30(42)10-7-15-41(3)4/h5-14,16-19,35H,15H2,1-4H3,(H,37,42)(H,38,43)(H,36,39,40)/b10-7+	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ...				US Patent US10787436 (2020) BindingDB Entry DOI: 10.7270/Q20G3P6J
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