Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50541795'   

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 14 (Mus musculus (mouse))	BDBM50541795 (CHEMBL4634665) Show SMILES NC1(CNC(=O)C[C@@H](NS(=O)(=O)c2ccc(nc2)N2C(=O)CCC2=O)c2ccccc2)C2CC3CC(C2)CC1C3 |r,wU:7.6,TLB:39:38:36:32.33.34,0:1:32.33.39:37.35.36,THB:2:1:36:32.33.34,39:33:1.38.37:36,34:33:1:37.35.36,34:35:1:32.33.39,0:1:36:32.33.34,(13.25,-32.2,;11.91,-31.43,;13.25,-30.66,;13.25,-29.12,;14.58,-28.35,;15.92,-29.12,;14.58,-26.81,;13.25,-26.04,;11.91,-26.81,;10.59,-26.04,;11.36,-24.71,;9.82,-24.71,;9.25,-26.81,;7.92,-26.04,;6.6,-26.81,;6.6,-28.36,;7.93,-29.12,;9.25,-28.36,;5.26,-29.13,;3.85,-28.5,;3.46,-27.02,;2.83,-29.65,;3.6,-30.98,;5.1,-30.66,;6.19,-31.74,;13.25,-24.5,;11.91,-23.73,;11.92,-22.2,;13.25,-21.44,;14.58,-22.2,;14.59,-23.73,;11.85,-32.98,;10.42,-33.28,;9.09,-32.73,;7.83,-33.98,;9.37,-33.61,;10.77,-34.24,;9.42,-32,;10.53,-30.79,;9.14,-31.23,)| Show InChI InChI=1S/C29H35N5O5S/c30-29(21-11-18-10-19(13-21)14-22(29)12-18)17-32-26(35)15-24(20-4-2-1-3-5-20)33-40(38,39)23-6-7-25(31-16-23)34-27(36)8-9-28(34)37/h1-7,16,18-19,21-22,24,33H,8-15,17,30H2,(H,32,35)/t18?,19?,21?,22?,24-,29?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a
King's College London Curated by ChEMBL					Assay Description Binding affinity to 6x-His tagged mouse recombinant p38alpha expressed in Escherichia coli Rosetta 2 (Novagen) cells by ITC analysis				J Med Chem 63: 7559-7568 (2020) Article DOI: 10.1021/acs.jmedchem.0c00403 BindingDB Entry DOI: 10.7270/Q2CJ8J23
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