BDBM50178355 CHEMBL3814450

SMILES: Oc1cc(O)cc(c1)C(=O)N\N=C\c1cccc(OCc2ccccc2C(F)(F)F)c1

InChI Key: InChIKey=BBOQBAJIHZMURB-RPPGKUMJSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50178355   

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 kinase 2 (Homo sapiens (Human))	BDBM50178355 (CHEMBL3814450) Show SMILES Oc1cc(O)cc(c1)C(=O)N\N=C\c1cccc(OCc2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C22H17F3N2O4/c23-22(24,25)20-7-2-1-5-15(20)13-31-19-6-3-4-14(8-19)12-26-27-21(30)16-9-17(28)11-18(29)10-16/h1-12,28-29H,13H2,(H,27,30)/b26-12+	UniProtKB/SwissProt 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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...				Bioorg Med Chem 24: 3218-30 (2016) BindingDB Entry DOI: 10.7270/Q2377BN8
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50178355 (CHEMBL3814450) Show SMILES Oc1cc(O)cc(c1)C(=O)N\N=C\c1cccc(OCc2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C22H17F3N2O4/c23-22(24,25)20-7-2-1-5-15(20)13-31-19-6-3-4-14(8-19)12-26-27-21(30)16-9-17(28)11-18(29)10-16/h1-12,28-29H,13H2,(H,27,30)/b26-12+	PDB UniProtKB/SwissProt 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
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...				Bioorg Med Chem 24: 3218-30 (2016) BindingDB Entry DOI: 10.7270/Q2377BN8
					More data for this Ligand-Target Pair