BDBM50438158 CHEMBL2407198

SMILES: OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)C2CCCCC2)cc1

InChI Key: InChIKey=LRTJNSSXHCYTOU-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 = 50438158   

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))	BDBM50438158 (CHEMBL2407198) Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C23H33N3O2S/c27-15-20-14-21(28)11-13-26(20)12-10-17-6-8-19(9-7-17)24-23-25-22(16-29-23)18-4-2-1-3-5-18/h6-9,16,18,20-21,27-28H,1-5,10-15H2,(H,24,25)/t20-,21+/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	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))	BDBM50438158 (CHEMBL2407198) Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C23H33N3O2S/c27-15-20-14-21(28)11-13-26(20)12-10-17-6-8-19(9-7-17)24-23-25-22(16-29-23)18-4-2-1-3-5-18/h6-9,16,18,20-21,27-28H,1-5,10-15H2,(H,24,25)/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	10	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))	BDBM50438158 (CHEMBL2407198) Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C23H33N3O2S/c27-15-20-14-21(28)11-13-26(20)12-10-17-6-8-19(9-7-17)24-23-25-22(16-29-23)18-4-2-1-3-5-18/h6-9,16,18,20-21,27-28H,1-5,10-15H2,(H,24,25)/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	280	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