null

SMILES: C[C+]1C=C(C)C2=Cc3ccc(CCC(=O)NCCCCCC(=O)NCCCCNC(=O)OCCCn4c(C(=O)CF)c(-c5ccc(C)cc5)c5c(N)ncnc45)n3[B-](F)(F)C12

InChI Key: InChIKey=DUYBUSXUFJRCHK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50324684   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50324684 (3-(1-(4-amino-6-(2-fluoroacetyl)-5-p-tolyl-7H-pyrr...) Show SMILES C[C+]1C=C(C)C2=Cc3ccc(CCC(=O)NCCCCCC(=O)NCCCCNC(=O)OCCCn4c(C(=O)CF)c(-c5ccc(C)cc5)c5c(N)ncnc45)n3[B-](F)(F)C12 |t:2,5| Show InChI InChI=1S/C44H54BF3N8O5/c1-28-11-13-31(14-12-28)38-39-42(49)53-27-54-43(39)55(41(38)35(57)26-46)22-9-23-61-44(60)52-21-8-7-20-50-36(58)10-5-4-6-19-51-37(59)18-17-32-15-16-33-25-34-29(2)24-30(3)40(34)45(47,48)56(32)33/h11-16,24-25,27,40H,4-10,17-23,26H2,1-3H3,(H,50,58)(H,51,59)(H,52,60)(H2,49,53,54)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of PMA-stimulated RSK2 phosphorylation in HEK293 cells after 1 hr by western blotting analysis				Nat Chem Biol 3: 156-60 (2007) Article DOI: 10.1038/nchembio859 BindingDB Entry DOI: 10.7270/Q22B8Z60
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50324684 (3-(1-(4-amino-6-(2-fluoroacetyl)-5-p-tolyl-7H-pyrr...) Show SMILES C[C+]1C=C(C)C2=Cc3ccc(CCC(=O)NCCCCCC(=O)NCCCCNC(=O)OCCCn4c(C(=O)CF)c(-c5ccc(C)cc5)c5c(N)ncnc45)n3[B-](F)(F)C12 |t:2,5| Show InChI InChI=1S/C44H54BF3N8O5/c1-28-11-13-31(14-12-28)38-39-42(49)53-27-54-43(39)55(41(38)35(57)26-46)22-9-23-61-44(60)52-21-8-7-20-50-36(58)10-5-4-6-19-51-37(59)18-17-32-15-16-33-25-34-29(2)24-30(3)40(34)45(47,48)56(32)33/h11-16,24-25,27,40H,4-10,17-23,26H2,1-3H3,(H,50,58)(H,51,59)(H,52,60)(H2,49,53,54)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of His6-tagged RSK2 C-terminal domian expressed in Escherichia coli after 30 mins				Nat Chem Biol 3: 156-60 (2007) Article DOI: 10.1038/nchembio859 BindingDB Entry DOI: 10.7270/Q22B8Z60
					More data for this Ligand-Target Pair