BDBM50237425 CHEMBL4101628

SMILES: Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]cnc3c2)c1

InChI Key: InChIKey=FARVPJMTWVKGMK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50237425   

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))	BDBM50237425 (CHEMBL4101628) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]cnc3c2)c1 Show InChI InChI=1S/C22H20N2O3S/c1-16-9-18(14-28(25,26)20-5-3-2-4-6-20)11-19(10-16)27-13-17-7-8-21-22(12-17)24-15-23-21/h2-12,15H,13-14H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+4	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))	BDBM50237425 (CHEMBL4101628) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]cnc3c2)c1 Show InChI InChI=1S/C22H20N2O3S/c1-16-9-18(14-28(25,26)20-5-3-2-4-6-20)11-19(10-16)27-13-17-7-8-21-22(12-17)24-15-23-21/h2-12,15H,13-14H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	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))	BDBM50237425 (CHEMBL4101628) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]cnc3c2)c1 Show InChI InChI=1S/C22H20N2O3S/c1-16-9-18(14-28(25,26)20-5-3-2-4-6-20)11-19(10-16)27-13-17-7-8-21-22(12-17)24-15-23-21/h2-12,15H,13-14H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+4	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