BDBM50535848 CHEMBL4584997

SMILES: CCCCCCC(=O)c1cc(-c2ccc(CC(O)=O)cc2)c2nccn2c1

InChI Key: InChIKey=MMYRYMMKMUTPBB-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50535848   

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
Serine palmitoyltransferase 1 (Homo sapiens (Human))	BDBM50535848 (CHEMBL4584997) Show SMILES CCCCCCC(=O)c1cc(-c2ccc(CC(O)=O)cc2)c2nccn2c1 Show InChI InChI=1S/C22H24N2O3/c1-2-3-4-5-6-20(25)18-14-19(22-23-11-12-24(22)15-18)17-9-7-16(8-10-17)13-21(26)27/h7-12,14-15H,2-6,13H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human SPT1 expressed in microsomes of HEK293 cells incubated for 1hr by LC/MS analysis				J Med Chem 59: 5904-10 (2016) Article DOI: 10.1021/acs.jmedchem.5b01851
					More data for this Ligand-Target Pair
Serine palmitoyltransferase 1 (Homo sapiens (Human))	BDBM50535848 (CHEMBL4584997) Show SMILES CCCCCCC(=O)c1cc(-c2ccc(CC(O)=O)cc2)c2nccn2c1 Show InChI InChI=1S/C22H24N2O3/c1-2-3-4-5-6-20(25)18-14-19(22-23-11-12-24(22)15-18)17-9-7-16(8-10-17)13-21(26)27/h7-12,14-15H,2-6,13H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	977	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of SPT1 in human MCF7 cells assessed as suppression of 14C-serine incorporation into ceramide incubated for 2 hrs in presence of 4-HPR				J Med Chem 59: 5904-10 (2016) Article DOI: 10.1021/acs.jmedchem.5b01851
					More data for this Ligand-Target Pair