BindingDB PrimarySearch

BDBM50113707 2,6,9-Trisubstitute purine, 2::2-(2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine::2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-ethanol::CHEMBL311228

SMILES: CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12

InChI Key: InChIKey=XZEFMZCNXDQXOZ-UHFFFAOYSA-N

Data: 14 IC50 1 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50113707
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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50113707 (2,6,9-Trisubstitute purine, 2 \| 2-(2-hydroxyethyla...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	7.4	4
ARIAD Pharmaceuticals					Assay Description Inhibition of human Src kinase activity by ARIAD compounds were measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FR...				Chem Biol Drug Des 67: 46-57 (2006) Article DOI: 10.1111/j.1747-0285.2005.00316.x BindingDB Entry DOI: 10.7270/Q2M61HRQ
ARIAD Pharmaceuticals					More data for this Ligand-Target Pair
Tyrosine-protein kinase Mer (Homo sapiens (Human))	BDBM50113707 (2,6,9-Trisubstitute purine, 2 \| 2-(2-hydroxyethyla...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Mer kinase				ACS Med Chem Lett 2: 907-912 (2011) Article DOI: 10.1021/ml200198x BindingDB Entry DOI: 10.7270/Q2DZ099R
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50113707 (2,6,9-Trisubstitute purine, 2 \| 2-(2-hydroxyethyla...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human cdc2/cyclin B assessed as [32P] incorporation in histone H1 from [gamma32P]ATP				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50113707 (2,6,9-Trisubstitute purine, 2 \| 2-(2-hydroxyethyla...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to cyclin-dependent kinase 1 (CDK1)				J Med Chem 45: 2366-78 (2002) BindingDB Entry DOI: 10.7270/Q25B01SB
Aventis Pharma Deutschland GmbH Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase Mer (Homo sapiens (Human))	BDBM50113707 (2,6,9-Trisubstitute purine, 2 \| 2-(2-hydroxyethyla...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Pharmacology& Toxicology Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Mer kinase (588 to 855 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells measured every mi...				Bioorg Med Chem 24: 3083-3092 (2016) BindingDB Entry DOI: 10.7270/Q23B621J
					More data for this Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase (Homo sapiens (Human))	BDBM50113707 (2,6,9-Trisubstitute purine, 2 \| 2-(2-hydroxyethyla...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay				Bioorg Med Chem Lett 21: 4108-14 (2011) Article DOI: 10.1016/j.bmcl.2011.04.149 BindingDB Entry DOI: 10.7270/Q2KK9C4H
Weill Cornell Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase Mer (Homo sapiens (Human))	BDBM50113707 (2,6,9-Trisubstitute purine, 2 \| 2-(2-hydroxyethyla...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Centre Universitaire Curated by ChEMBL					Assay Description Inhibition of MER (588 to 855) (unknown origin) by fluorescence assay				Eur J Med Chem 61: 2-25 (2013) Article DOI: 10.1016/j.ejmech.2012.06.005 BindingDB Entry DOI: 10.7270/Q2V40WJP
Centre Universitaire Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50113707 (2,6,9-Trisubstitute purine, 2 \| 2-(2-hydroxyethyla...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Cell division control protein 28 (Saccharomyces cerevisiae)	BDBM50113707 (2,6,9-Trisubstitute purine, 2 \| 2-(2-hydroxyethyla...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of yeast W303 cdc28 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Pho80/Pho85 (Saccharomyces cerevisiae)	BDBM50113707 (2,6,9-Trisubstitute purine, 2 \| 2-(2-hydroxyethyla...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of yeast W303 Pho85 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase KIN28 (Saccharomyces cerevisiae)	BDBM50113707 (2,6,9-Trisubstitute purine, 2 \| 2-(2-hydroxyethyla...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of yeast W303 Kin28 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Meiotic mRNA stability protein kinase SSN3 (Saccharomyces cerevisiae)	BDBM50113707 (2,6,9-Trisubstitute purine, 2 \| 2-(2-hydroxyethyla...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of yeast W303 Srb10 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase CAK1 (Saccharomyces cerevisiae)	BDBM50113707 (2,6,9-Trisubstitute purine, 2 \| 2-(2-hydroxyethyla...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of yeast W303 Cak1 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase Mer (Homo sapiens (Human))	BDBM50113707 (2,6,9-Trisubstitute purine, 2 \| 2-(2-hydroxyethyla...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...				ACS Med Chem Lett 3: 129-134 (2012) Article DOI: 10.1021/ml200239k BindingDB Entry DOI: 10.7270/Q2F76DMC
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50113707 (2,6,9-Trisubstitute purine, 2 \| 2-(2-hydroxyethyla...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to GSK3-beta				Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair