BDBM50111385 CHEMBL3604793

SMILES: CN1CCN(CC1)c1ccc(cc1)-c1ccncc1-c1cc(F)c(O)c(F)c1

InChI Key: InChIKey=IKUFKDGKRLMXEX-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50111385   

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))	BDBM50111385 (CHEMBL3604793) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccncc1-c1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C22H21F2N3O/c1-26-8-10-27(11-9-26)17-4-2-15(3-5-17)18-6-7-25-14-19(18)16-12-20(23)22(28)21(24)13-16/h2-7,12-14,28H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Histidine-tagged RSK2 using biotin-AGAGRSRHSSYPAGT-OH as substrate preincubated for 30 mins followed by ATP and subst...				J Med Chem 58: 6766-83 (2015) BindingDB Entry DOI: 10.7270/Q21C1ZN6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosomal protein S6 kinase alpha-1/alpha-3 (Homo sapiens (Human))	BDBM50111385 (CHEMBL3604793) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccncc1-c1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C22H21F2N3O/c1-26-8-10-27(11-9-26)17-4-2-15(3-5-17)18-6-7-25-14-19(18)16-12-20(23)22(28)21(24)13-16/h2-7,12-14,28H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of RSK2 (unknown origin)				Bioorg Med Chem Lett 28: 3197-3201 (2018) Article DOI: 10.1016/j.bmcl.2018.08.020 BindingDB Entry DOI: 10.7270/Q2F76G78
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosomal protein S6 kinase alpha-1/alpha-3 (Homo sapiens (Human))	BDBM50111385 (CHEMBL3604793) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccncc1-c1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C22H21F2N3O/c1-26-8-10-27(11-9-26)17-4-2-15(3-5-17)18-6-7-25-14-19(18)16-12-20(23)22(28)21(24)13-16/h2-7,12-14,28H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of RSK2 (unknown origin) assessed as reduction in YB1 transmembrane phosphorylation				Bioorg Med Chem Lett 28: 3197-3201 (2018) Article DOI: 10.1016/j.bmcl.2018.08.020 BindingDB Entry DOI: 10.7270/Q2F76G78
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosomal protein S6 kinase alpha-3 (Mus musculus)	BDBM50111385 (CHEMBL3604793) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccncc1-c1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C22H21F2N3O/c1-26-8-10-27(11-9-26)17-4-2-15(3-5-17)18-6-7-25-14-19(18)16-12-20(23)22(28)21(24)13-16/h2-7,12-14,28H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of RSK2 in mouse BAF cells expressing activated FGFR assessed as reduction of YB1 phosphorylation at Ser102 by electochemiluminescence ass...				J Med Chem 58: 6766-83 (2015) BindingDB Entry DOI: 10.7270/Q21C1ZN6
					More data for this Ligand-Target Pair