BDBM50438169 CHEMBL2409870

SMILES: OC[C@H]1C[C@H](O)CN1CCCc1ccc(Nc2nc(cs2)-c2ccc(Cl)c(Cl)c2)cc1

InChI Key: InChIKey=GMGHOLUNDWPBND-MOPGFXCFSA-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 = 50438169   

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 1 (SPHK1) (Homo sapiens (Human))	BDBM50438169 (CHEMBL2409870) Show SMILES OC[C@H]1C[C@H](O)CN1CCCc1ccc(Nc2nc(cs2)-c2ccc(Cl)c(Cl)c2)cc1 |r| Show InChI InChI=1S/C23H25Cl2N3O2S/c24-20-8-5-16(10-21(20)25)22-14-31-23(27-22)26-17-6-3-15(4-7-17)2-1-9-28-12-19(30)11-18(28)13-29/h3-8,10,14,18-19,29-30H,1-2,9,11-13H2,(H,26,27)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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 types 2 (SphK2) (Homo sapiens (Human))	BDBM50438169 (CHEMBL2409870) Show SMILES OC[C@H]1C[C@H](O)CN1CCCc1ccc(Nc2nc(cs2)-c2ccc(Cl)c(Cl)c2)cc1 |r| Show InChI InChI=1S/C23H25Cl2N3O2S/c24-20-8-5-16(10-21(20)25)22-14-31-23(27-22)26-17-6-3-15(4-7-17)2-1-9-28-12-19(30)11-18(28)13-29/h3-8,10,14,18-19,29-30H,1-2,9,11-13H2,(H,26,27)/t18-,19+/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	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