BindingDB PrimarySearch

BDBM50443388 CHEMBL3086782::US9688668, SLR080811

SMILES: CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N

InChI Key: InChIKey=JUZGDDYZTNXXNG-SFHVURJKSA-N

Data: 15 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50443388
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
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 \| US9688668, SLR080811) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1 (unknown origin)				J Med Chem 56: 9310-27 (2013) Article DOI: 10.1021/jm401399c BindingDB Entry DOI: 10.7270/Q2S75HSK
The City University of New York Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine kinase types 2 (SphK2) (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 \| US9688668, SLR080811) Show SMILES Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Patent Foundation US Patent					Assay Description SLR080811, prepared as the HCl salt, was tested first at recombinant SphK1 and SphK2 using a broken cell assay.				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
University of Virginia Patent Foundation US Patent					More data for this Ligand-Target Pair
Sphingosine kinase types 2 (SphK2) (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 \| US9688668, SLR080811) Show SMILES Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq...				J Med Chem 58: 1879-99 (2015) Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3
Virginia Tech Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 \| US9688668, SLR080811) Show SMILES Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay Description Inhibition of recombinant SK2 (unknown origin) expressed in Sf9 insect cells using D-erythro-sphingosine as substrate measured in presence of [gamma3...				J Med Chem 62: 3658-3676 (2019) Article DOI: 10.1021/acs.jmedchem.9b00162
Heriot-Watt University Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine kinase types 2 (SphK2) (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 \| US9688668, SLR080811) Show SMILES Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of SphK2 (unknown origin)				Bioorg Med Chem Lett 25: 4956-60 (2015) BindingDB Entry DOI: 10.7270/Q28G8NHJ
Virginia Tech Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine kinase types 2 (SphK2) (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 \| US9688668, SLR080811) Show SMILES Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of human recombinant SphK2 using sphingosine as substrate incubated for 20 mins by scintillation counting analysis in presence of [gamma-3...				ACS Med Chem Lett 7: 229-34 (2016) BindingDB Entry DOI: 10.7270/Q22B90ZN
Virginia Tech Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine kinase types 1 (SphK1) (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 \| US9688668, SLR080811) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Patent Foundation US Patent					Assay Description SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
University of Virginia Patent Foundation US Patent					More data for this Ligand-Target Pair
Sphingosine kinase types 1 (SphK1) (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 \| US9688668, SLR080811) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Patent Foundation US Patent					Assay Description SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
University of Virginia Patent Foundation US Patent					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 \| US9688668, SLR080811) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay Description Inhibition of recombinant SK1 (unknown origin) expressed in Sf9 insect cells using D-erythro-sphingosine as substrate measured in presence of [gamma3...				J Med Chem 62: 3658-3676 (2019) Article DOI: 10.1021/acs.jmedchem.9b00162
Heriot-Watt University Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine kinase types 1 (SphK1) (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 \| US9688668, SLR080811) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Patent Foundation US Patent					Assay Description SLR080811, prepared as the HCl salt, was tested first at recombinant SphK1 and SphK2 using a broken cell assay.				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
University of Virginia Patent Foundation US Patent					More data for this Ligand-Target Pair
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 \| US9688668, SLR080811) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu...				J Med Chem 58: 1879-99 (2015) Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3
Virginia Tech Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 \| US9688668, SLR080811) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of SphK1 (unknown origin)				Bioorg Med Chem Lett 25: 4956-60 (2015) BindingDB Entry DOI: 10.7270/Q28G8NHJ
Virginia Tech Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 \| US9688668, SLR080811) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of human recombinant SphK1 using sphingosine as substrate incubated for 20 mins by scintillation counting analysis in presence of [gamma-3...				ACS Med Chem Lett 7: 229-34 (2016) BindingDB Entry DOI: 10.7270/Q22B90ZN
Virginia Tech Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine kinase types 2 (SphK2) (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 \| US9688668, SLR080811) Show SMILES Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Patent Foundation US Patent					Assay Description SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
University of Virginia Patent Foundation US Patent					More data for this Ligand-Target Pair
Sphingosine kinase types 2 (SphK2) (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 \| US9688668, SLR080811) Show SMILES Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Patent Foundation US Patent					Assay Description SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
University of Virginia Patent Foundation US Patent					More data for this Ligand-Target Pair