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SMILES: CCCSc1nc(N2CCOCC2)c2CCCCc2c1C#N

InChI Key: InChIKey=GBLQTUPKPFDZPX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 37310   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM37310 (1-(4-morpholinyl)-3-(propylthio)-5,6,7,8-tetrahydr...) Show SMILES CCCSc1nc(N2CCOCC2)c2CCCCc2c1C#N Show InChI InChI=1S/C17H23N3OS/c1-2-11-22-17-15(12-18)13-5-3-4-6-14(13)16(19-17)20-7-9-21-10-8-20/h2-11H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.34E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Networ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PZ576Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM37310 (1-(4-morpholinyl)-3-(propylthio)-5,6,7,8-tetrahydr...) Show SMILES CCCSc1nc(N2CCOCC2)c2CCCCc2c1C#N Show InChI InChI=1S/C17H23N3OS/c1-2-11-22-17-15(12-18)13-5-3-4-6-14(13)16(19-17)20-7-9-21-10-8-20/h2-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description List of compounds to be tested: Compounds that met the active criterion of Z-score is				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2N58JS6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM37310 (1-(4-morpholinyl)-3-(propylthio)-5,6,7,8-tetrahydr...) Show SMILES CCCSc1nc(N2CCOCC2)c2CCCCc2c1C#N Show InChI InChI=1S/C17H23N3OS/c1-2-11-22-17-15(12-18)13-5-3-4-6-14(13)16(19-17)20-7-9-21-10-8-20/h2-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description List of compounds to be tested: Compounds that met the active criterion of Z-score is				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2T72FVT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM37310 (1-(4-morpholinyl)-3-(propylthio)-5,6,7,8-tetrahydr...) Show SMILES CCCSc1nc(N2CCOCC2)c2CCCCc2c1C#N Show InChI InChI=1S/C17H23N3OS/c1-2-11-22-17-15(12-18)13-5-3-4-6-14(13)16(19-17)20-7-9-21-10-8-20/h2-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description List of compounds to be tested: Compounds that met the active criterion of Z-score is				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Z036KJ
					More data for this Ligand-Target Pair