BindingDB PrimarySearch

BDBM50106497 6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline-5,8-dione::6-chloro-7-(2-morpholinoethylamino)quinoline-5,8-dione::CHEMBL337173::NSC-663284

SMILES: Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12

InChI Key: InChIKey=DWRQCWWWWDTWHB-UHFFFAOYSA-N

Data: 3 KI 9 IC50 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50106497
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
phosphatase Cdc25 (Homo sapiens (Human))	BDBM50106497 (6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...) Show SMILES Show InChI	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck-Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of human Cdc25A				Bioorg Med Chem 19: 2145-55 (2011) Article DOI: 10.1016/j.bmc.2011.02.047 BindingDB Entry DOI: 10.7270/Q2BR8SHK
					More data for this Ligand-Target Pair
Cdc25C (Homo sapiens (Human))	BDBM50106497 (6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck-Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of human Cdc25C				Bioorg Med Chem 19: 2145-55 (2011) Article DOI: 10.1016/j.bmc.2011.02.047 BindingDB Entry DOI: 10.7270/Q2BR8SHK
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50106497 (6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck-Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of human Cdc25B				Bioorg Med Chem 19: 2145-55 (2011) Article DOI: 10.1016/j.bmc.2011.02.047 BindingDB Entry DOI: 10.7270/Q2BR8SHK
					More data for this Ligand-Target Pair
SET domain-containing protein 8 (SetD8) (Homo sapiens (Human))	BDBM50106497 (6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human SETD8 (191 to 352) assessed as incorporation of [3H]-methyl group from [3H-Me]-SAM to biotinylated H4K20 p...				J Med Chem 58: 1596-629 (2015) Article DOI: 10.1021/jm501234a BindingDB Entry DOI: 10.7270/Q28K7BS2
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					More data for this Ligand-Target Pair
Cdc25C (Homo sapiens (Human))	BDBM50106497 (6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Institut Henri Beaufour Curated by ChEMBL					Assay Description Inhibitory activity against recombinant CDC25C				Bioorg Med Chem Lett 16: 171-5 (2005) Article DOI: 10.1016/j.bmcl.2005.09.030 BindingDB Entry DOI: 10.7270/Q2T1535S
Institut Henri Beaufour Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50106497 (6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibitory Activity against Recombinant Human PTP1				J Med Chem 44: 4042-9 (2001) BindingDB Entry DOI: 10.7270/Q2X34WR5
University of Pittsburgh Curated by ChEMBL					More data for this Ligand-Target Pair
SET domain-containing protein 8 (SetD8) (Homo sapiens (Human))	BDBM50106497 (6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<5.00E+3	n/a	n/a	n/a	n/a
The Center for Combinatorial Chemistry and Drug Discovery of Jilin University Curated by ChEMBL					Assay Description Inhibition of SETD8 in HEK293T cells assessed as reduction in H4K20me level after 2 to 3 days by Western blot analysis				Bioorg Med Chem Lett 26: 4436-4440 (2016) Article DOI: 10.1016/j.bmcl.2016.08.004
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM50106497 (6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibitory Activity against Recombinant Human VHR				J Med Chem 44: 4042-9 (2001) BindingDB Entry DOI: 10.7270/Q2X34WR5
University of Pittsburgh Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25A (Homo sapiens (Human))	BDBM50106497 (6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...) Show SMILES Show InChI	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc25A using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111696
Shandong University Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25C (Homo sapiens (Human))	BDBM50106497 (6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc25C using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111696
Shandong University Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50106497 (6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc25B using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based a...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111696
Shandong University Curated by ChEMBL					More data for this Ligand-Target Pair
SET domain-containing protein 8 (SetD8) (Homo sapiens (Human))	BDBM50106497 (6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
The Center for Combinatorial Chemistry and Drug Discovery of Jilin University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human SETD8 (191 to 352 residues) expressed in Escherichia coli Rosseta-2(DE3) cells using histone peptide subst...				Bioorg Med Chem Lett 26: 4436-4440 (2016) Article DOI: 10.1016/j.bmcl.2016.08.004
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50106497 (6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cell division cycle 25B				J Med Chem 44: 4042-9 (2001) BindingDB Entry DOI: 10.7270/Q2X34WR5
University of Pittsburgh Curated by ChEMBL					More data for this Ligand-Target Pair