BindingDB PrimarySearch

BDBM50239117 CHEMBL4060768

SMILES: Fc1cc(F)cc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1

InChI Key: InChIKey=CPFXYHKMOTWOFK-XMMPIXPASA-N

Data: 27 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50239117
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
Choline kinase alpha (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human CHKalpha (1 to 457 residues) by ADP Glo HTS assay				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) 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 Patents	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3Kdelta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins in p...				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Diacylglycerol kinase beta (Homo sapiens)	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Diacylglycerol kinase gamma (Homo sapiens)	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Diacylglycerol kinase zeta (Homo sapiens)	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
PI3-kinase class I (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Mus musculus (Mouse))	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human SphK1 (1 to 384 residues) by ATP-Glo HTS assay				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin)				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human PI3K p85beta (1 to 724 residues) by ADP Glo HTS assay				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) 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 Patents	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma (2 to 1102 residues) by ADP Glo HTS assay				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha (Homo sapiens)	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human PI4K2alpha (1 to 479 residues) by ADP Glo HTS assay				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha (Homo sapiens)	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human PIP5K2alpha (1 to 406 residues) by ADP Glo HTS assay				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine kinase types 2 (SphK2) (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human SPHK 2 (1 to 654 residues) by ADP Glo HTS assay				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3Kalpha using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins in p...				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins in pr...				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) 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 Patents	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -2				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human PIK4Cbeta (1 to 801 residues) by ADP Glo HTS assay				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) 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 Patents	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human JeKo1 B cells assessed as decrease in AKT phosphorylation at Ser473 measured after 1 hr				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Choline/ethanolamine kinase (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair