null

SMILES: Cc1nc2ncnn2c(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1C

InChI Key: InChIKey=HGUWAIXVEMNODZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 36856   

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 1 (Homo sapiens (Human))	BDBM36856 (5,6-Dimethyl-7-[4-(3-trifluoromethyl-phenyl)-piper...) Show SMILES Cc1nc2ncnn2c(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C18H19F3N6/c1-12-13(2)24-17-22-11-23-27(17)16(12)26-8-6-25(7-9-26)15-5-3-4-14(10-15)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	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 Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25X2795
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36856 (5,6-Dimethyl-7-[4-(3-trifluoromethyl-phenyl)-piper...) Show SMILES Cc1nc2ncnn2c(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C18H19F3N6/c1-12-13(2)24-17-22-11-23-27(17)16(12)26-8-6-25(7-9-26)15-5-3-4-14(10-15)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.54E+4	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 Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36856 (5,6-Dimethyl-7-[4-(3-trifluoromethyl-phenyl)-piper...) Show SMILES Cc1nc2ncnn2c(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C18H19F3N6/c1-12-13(2)24-17-22-11-23-27(17)16(12)26-8-6-25(7-9-26)15-5-3-4-14(10-15)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.41E+4	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 Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2251GJ9
					More data for this Ligand-Target Pair