Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ribosomal protein S6 kinase beta-1' and Ligand = 'BDBM50379530'   

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
Ribosomal protein S6 kinase beta-1 (Homo sapiens (Human))	BDBM50379530 (CHEMBL2012701) Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN(C)C)c3C)c12 Show InChI InChI=1S/C22H31ClN8/c1-5-17-20-21(28-27-17)25-14-26-22(20)31-10-8-30(9-11-31)19-13-16(23)12-18(15(19)2)24-6-7-29(3)4/h12-14,24H,5-11H2,1-4H3,(H,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay				Bioorg Med Chem Lett 22: 2693-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 (Homo sapiens (Human))	BDBM50379530 (CHEMBL2012701) Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN(C)C)c3C)c12 Show InChI InChI=1S/C22H31ClN8/c1-5-17-20-21(28-27-17)25-14-26-22(20)31-10-8-30(9-11-31)19-13-16(23)12-18(15(19)2)24-6-7-29(3)4/h12-14,24H,5-11H2,1-4H3,(H,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of p70S6K-mediated ribosomal protein S6 phosphorylation in human A549 cells after 3 hrs by chemiluminescence assay				Bioorg Med Chem Lett 22: 2693-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 (Homo sapiens (Human))	BDBM50379530 (CHEMBL2012701) Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN(C)C)c3C)c12 Show InChI InChI=1S/C22H31ClN8/c1-5-17-20-21(28-27-17)25-14-26-22(20)31-10-8-30(9-11-31)19-13-16(23)12-18(15(19)2)24-6-7-29(3)4/h12-14,24H,5-11H2,1-4H3,(H,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	211	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of p70S6K-mediated ribosomal protein S6 phosphorylation in human PC3 cells after 3 hrs by chemiluminescence assay				Bioorg Med Chem Lett 22: 2693-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT
					More data for this Ligand-Target Pair