BDBM50438149 CHEMBL2409885

SMILES: COc1cccc(c1)-c1csc(Nc2ccc(CCN3CC[C@H](O)C[C@@H]3CO)cc2)n1

InChI Key: InChIKey=OAMJOAOECFYPCZ-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 = 50438149   

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))	BDBM50438149 (CHEMBL2409885) Show SMILES COc1cccc(c1)-c1csc(Nc2ccc(CCN3CC[C@H](O)C[C@@H]3CO)cc2)n1 |r| Show InChI InChI=1S/C24H29N3O3S/c1-30-22-4-2-3-18(13-22)23-16-31-24(26-23)25-19-7-5-17(6-8-19)9-11-27-12-10-21(29)14-20(27)15-28/h2-8,13,16,20-21,28-29H,9-12,14-15H2,1H3,(H,25,26)/t20-,21+/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	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))	BDBM50438149 (CHEMBL2409885) Show SMILES COc1cccc(c1)-c1csc(Nc2ccc(CCN3CC[C@H](O)C[C@@H]3CO)cc2)n1 |r| Show InChI InChI=1S/C24H29N3O3S/c1-30-22-4-2-3-18(13-22)23-16-31-24(26-23)25-19-7-5-17(6-8-19)9-11-27-12-10-21(29)14-20(27)15-28/h2-8,13,16,20-21,28-29H,9-12,14-15H2,1H3,(H,25,26)/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	50	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))	BDBM50438149 (CHEMBL2409885) Show SMILES COc1cccc(c1)-c1csc(Nc2ccc(CCN3CC[C@H](O)C[C@@H]3CO)cc2)n1 |r| Show InChI InChI=1S/C24H29N3O3S/c1-30-22-4-2-3-18(13-22)23-16-31-24(26-23)25-19-7-5-17(6-8-19)9-11-27-12-10-21(29)14-20(27)15-28/h2-8,13,16,20-21,28-29H,9-12,14-15H2,1H3,(H,25,26)/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	870	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