BDBM50438163 CHEMBL2409886

SMILES: OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2cccc(c2)C(F)(F)F)cc1

InChI Key: InChIKey=JBIVMEZMEYVJHE-RTWAWAEBSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50438163   

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 types 2 (SphK2) (Homo sapiens (Human))	BDBM50438163 (CHEMBL2409886) Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2cccc(c2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C24H26F3N3O2S/c25-24(26,27)18-3-1-2-17(12-18)22-15-33-23(29-22)28-19-6-4-16(5-7-19)8-10-30-11-9-21(32)13-20(30)14-31/h1-7,12,15,20-21,31-32H,8-11,13-14H2,(H,28,29)/t20-,21+/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50438163 (CHEMBL2409886) Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2cccc(c2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C24H26F3N3O2S/c25-24(26,27)18-3-1-2-17(12-18)22-15-33-23(29-22)28-19-6-4-16(5-7-19)8-10-30-11-9-21(32)13-20(30)14-31/h1-7,12,15,20-21,31-32H,8-11,13-14H2,(H,28,29)/t20-,21+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50438163 (CHEMBL2409886) Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2cccc(c2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C24H26F3N3O2S/c25-24(26,27)18-3-1-2-17(12-18)22-15-33-23(29-22)28-19-6-4-16(5-7-19)8-10-30-11-9-21(32)13-20(30)14-31/h1-7,12,15,20-21,31-32H,8-11,13-14H2,(H,28,29)/t20-,21+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of SphK1 in human WM266-4 cells assessed as inhibition of formation of [17C]-S1P formation after 20 mins by LC-MS analysis				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair