BDBM50237428 CHEMBL4093921

SMILES: Cc1nc2ccc(cc2n1Cc1ccccc1)-c1ccc(CN2CCC[C@@H]2CO)cc1

InChI Key: InChIKey=MDUQMHDMUKHVKM-RUZDIDTESA-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 = 50237428   

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))	BDBM50237428 (CHEMBL4093921) Show SMILES Cc1nc2ccc(cc2n1Cc1ccccc1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r| Show InChI InChI=1S/C27H29N3O/c1-20-28-26-14-13-24(16-27(26)30(20)18-21-6-3-2-4-7-21)23-11-9-22(10-12-23)17-29-15-5-8-25(29)19-31/h2-4,6-7,9-14,16,25,31H,5,8,15,17-19H2,1H3/t25-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	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))	BDBM50237428 (CHEMBL4093921) Show SMILES Cc1nc2ccc(cc2n1Cc1ccccc1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r| Show InChI InChI=1S/C27H29N3O/c1-20-28-26-14-13-24(16-27(26)30(20)18-21-6-3-2-4-7-21)23-11-9-22(10-12-23)17-29-15-5-8-25(29)19-31/h2-4,6-7,9-14,16,25,31H,5,8,15,17-19H2,1H3/t25-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	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