BDBM50380930 CHEMBL2016890

SMILES: Cc1noc(n1)-c1cc(NCCN2CCCC2)c(C)c(c1)N1CCN(CC1)c1ncnc2n[nH]c(Br)c12

InChI Key: InChIKey=HGCQHRUBKWVKHA-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50380930   

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 (P70S6K) (Homo sapiens (Human))	BDBM50380930 (CHEMBL2016890) Show SMILES Cc1noc(n1)-c1cc(NCCN2CCCC2)c(C)c(c1)N1CCN(CC1)c1ncnc2n[nH]c(Br)c12 Show InChI InChI=1S/C25H31BrN10O/c1-16-19(27-5-8-34-6-3-4-7-34)13-18(25-30-17(2)33-37-25)14-20(16)35-9-11-36(12-10-35)24-21-22(26)31-32-23(21)28-15-29-24/h13-15,27H,3-12H2,1-2H3,(H,28,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50380930 (CHEMBL2016890) Show SMILES Cc1noc(n1)-c1cc(NCCN2CCCC2)c(C)c(c1)N1CCN(CC1)c1ncnc2n[nH]c(Br)c12 Show InChI InChI=1S/C25H31BrN10O/c1-16-19(27-5-8-34-6-3-4-7-34)13-18(25-30-17(2)33-37-25)14-20(16)35-9-11-36(12-10-35)24-21-22(26)31-32-23(21)28-15-29-24/h13-15,27H,3-12H2,1-2H3,(H,28,29,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of AKT1 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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50380930 (CHEMBL2016890) Show SMILES Cc1noc(n1)-c1cc(NCCN2CCCC2)c(C)c(c1)N1CCN(CC1)c1ncnc2n[nH]c(Br)c12 Show InChI InChI=1S/C25H31BrN10O/c1-16-19(27-5-8-34-6-3-4-7-34)13-18(25-30-17(2)33-37-25)14-20(16)35-9-11-36(12-10-35)24-21-22(26)31-32-23(21)28-15-29-24/h13-15,27H,3-12H2,1-2H3,(H,28,29,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	665	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of AKT1-mediated GSK3beta 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
Ribosomal protein S6 kinase (P70S6K) (Homo sapiens (Human))	BDBM50380930 (CHEMBL2016890) Show SMILES Cc1noc(n1)-c1cc(NCCN2CCCC2)c(C)c(c1)N1CCN(CC1)c1ncnc2n[nH]c(Br)c12 Show InChI InChI=1S/C25H31BrN10O/c1-16-19(27-5-8-34-6-3-4-7-34)13-18(25-30-17(2)33-37-25)14-20(16)35-9-11-36(12-10-35)24-21-22(26)31-32-23(21)28-15-29-24/h13-15,27H,3-12H2,1-2H3,(H,28,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	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
Ribosomal protein S6 kinase (P70S6K) (Homo sapiens (Human))	BDBM50380930 (CHEMBL2016890) Show SMILES Cc1noc(n1)-c1cc(NCCN2CCCC2)c(C)c(c1)N1CCN(CC1)c1ncnc2n[nH]c(Br)c12 Show InChI InChI=1S/C25H31BrN10O/c1-16-19(27-5-8-34-6-3-4-7-34)13-18(25-30-17(2)33-37-25)14-20(16)35-9-11-36(12-10-35)24-21-22(26)31-32-23(21)28-15-29-24/h13-15,27H,3-12H2,1-2H3,(H,28,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	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