BDBM50237418 CHEMBL4061789

SMILES: Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1

InChI Key: InChIKey=AVMNWMSCOPMWAG-CLJLJLNGSA-N

Data: 5 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 5 hits for monomerid = 50237418   

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))	BDBM50237418 (CHEMBL4061789) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50237418 (CHEMBL4061789) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50237418 (CHEMBL4061789) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50237418 (CHEMBL4061789) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins foll...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase types 2 (SphK2) (Homo sapiens (Human))	BDBM50237418 (CHEMBL4061789) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26-/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	465	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair