Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 7110   

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
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM175242 (US11844801, Compound (M)-I | US9115089, 49) Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)O |(3.33,-1.54,;2,-2.31,;2,-3.85,;.67,-4.62,;-.67,-3.85,;-.67,-2.31,;.67,-1.54,;.67,,;2,.77,;3.33,,;2,2.31,;.67,3.08,;.67,4.62,;2,5.39,;3.33,4.62,;3.33,3.08,;4.67,2.31,;6,3.08,;7.34,2.31,;6,4.62,;4.67,5.39,;4.67,6.93,;-.67,2.31,;-2,3.08,;-.67,.77,;-2,,;-2,-4.62,;-2,-6.16,;-3.33,-6.93,;-4.67,-6.16,;-4.67,-4.62,;-3.33,-3.85,;-6,-3.85,;-6.77,-2.52,;-5.23,-2.52,;-7.34,-4.62,)| Show InChI InChI=1S/C25H22ClF2N5O3/c1-13-10-30-18(17-5-6-29-24(32-17)25(3,4)35)9-20(13)33-14(2)7-21(22(26)23(33)34)36-12-19-16(28)8-15(27)11-31-19/h5-11,35H,12H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	7.5	n/a
CONFLUENCE LIFE SCIENCES, INC. US Patent					Assay Description The ability of compounds to inhibit activated phospho-p38alpha is evaluated using a p38alpha /MK2 and a p38alpha /PRAK cascade assay format. The kina...				US Patent US9115089 (2015) BindingDB Entry DOI: 10.7270/Q25M64H1
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 5 (Homo sapiens (Human))	BDBM175242 (US11844801, Compound (M)-I | US9115089, 49) Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)O |(3.33,-1.54,;2,-2.31,;2,-3.85,;.67,-4.62,;-.67,-3.85,;-.67,-2.31,;.67,-1.54,;.67,,;2,.77,;3.33,,;2,2.31,;.67,3.08,;.67,4.62,;2,5.39,;3.33,4.62,;3.33,3.08,;4.67,2.31,;6,3.08,;7.34,2.31,;6,4.62,;4.67,5.39,;4.67,6.93,;-.67,2.31,;-2,3.08,;-.67,.77,;-2,,;-2,-4.62,;-2,-6.16,;-3.33,-6.93,;-4.67,-6.16,;-4.67,-4.62,;-3.33,-3.85,;-6,-3.85,;-6.77,-2.52,;-5.23,-2.52,;-7.34,-4.62,)| Show InChI InChI=1S/C25H22ClF2N5O3/c1-13-10-30-18(17-5-6-29-24(32-17)25(3,4)35)9-20(13)33-14(2)7-21(22(26)23(33)34)36-12-19-16(28)8-15(27)11-31-19/h5-11,35H,12H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	7.5	n/a
CONFLUENCE LIFE SCIENCES, INC. US Patent					Assay Description The ability of compounds to inhibit activated phospho-p38alpha is evaluated using a p38alpha /MK2 and a p38alpha /PRAK cascade assay format. The kina...				US Patent US9115089 (2015) BindingDB Entry DOI: 10.7270/Q25M64H1
					More data for this Ligand-Target Pair