BindingDB PrimarySearch

BDBM50248765 1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-fluoroethanone::CHEMBL515414

SMILES: Cc1ccc(cc1)-c1c(C(=O)CF)n(CCCO)c2ncnc(N)c12

InChI Key: InChIKey=IKLGYJACVCXYIL-UHFFFAOYSA-N

Data: 11 IC50 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50248765
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50248765 (1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of wild type FYN (unknown origin) expressed in Escherichia coli				Science 308: 1318-21 (2005) Article DOI: 10.1126/science1108367 BindingDB Entry DOI: 10.7270/Q20G3JX9
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50248765 (1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of RSK2 C-terminal kinase domain (unknown origin) expressed in Escherichia coli preincubated for 30 mins				Science 308: 1318-21 (2005) Article DOI: 10.1126/science1108367 BindingDB Entry DOI: 10.7270/Q20G3JX9
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50248765 (1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	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
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50248765 (1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	150	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
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50248765 (1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of RSK2 after 60 mins				J Med Chem 54: 3564-74 (2011) Article DOI: 10.1021/jm200139j BindingDB Entry DOI: 10.7270/Q26M374H
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50248765 (1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Covalution Pharma BV Curated by ChEMBL					Assay Description Inhibition of RSK2 transfected in HEK293 cells				J Med Chem 55: 6243-62 (2012) Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP
Covalution Pharma BV Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase LCK (Mus musculus)	BDBM50248765 (1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Lck in the presence of 50uM ATP				Biochem J 408: 297-315 (2007) Article DOI: 10.1042/BJ20070797 BindingDB Entry DOI: 10.7270/Q27082B4
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50248765 (1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Eph-A2 in the presence of 50uM ATP				Biochem J 408: 297-315 (2007) Article DOI: 10.1042/BJ20070797 BindingDB Entry DOI: 10.7270/Q27082B4
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K) (Homo sapiens (Human))	BDBM50248765 (1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of S6K1 in the presence of 20uM ATP				Biochem J 408: 297-315 (2007) Article DOI: 10.1042/BJ20070797 BindingDB Entry DOI: 10.7270/Q27082B4
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM50248765 (1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Src in the presence of 50uM ATP				Biochem J 408: 297-315 (2007) Article DOI: 10.1042/BJ20070797 BindingDB Entry DOI: 10.7270/Q27082B4
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM50248765 (1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Yes in the presence of 20uM ATP				Biochem J 408: 297-315 (2007) Article DOI: 10.1042/BJ20070797 BindingDB Entry DOI: 10.7270/Q27082B4
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50248765 (1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of His6x-tagged RSK2 C-terminal domain (unknown origin) expressed in Escherichia coli				Bioorg Med Chem 21: 1724-34 (2013) Article DOI: 10.1016/j.bmc.2013.01.047 BindingDB Entry DOI: 10.7270/Q2GQ704N
					More data for this Ligand-Target Pair