BDBM50535847 CHEMBL4541898

SMILES: CCCCCCC(=O)N1CCc2c(C1)c(nn2C)-c1ccc(cc1)C(C)(C)C(O)=O

InChI Key: InChIKey=XFBAMRWEUKVTJU-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 = 50535847   

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))	BDBM50535847 (CHEMBL4541898) Show SMILES CCCCCCC(=O)N1CCc2c(C1)c(nn2C)-c1ccc(cc1)C(C)(C)C(O)=O Show InChI InChI=1S/C24H33N3O3/c1-5-6-7-8-9-21(28)27-15-14-20-19(16-27)22(25-26(20)4)17-10-12-18(13-11-17)24(2,3)23(29)30/h10-13H,5-9,14-16H2,1-4H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	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))	BDBM50535847 (CHEMBL4541898) Show SMILES CCCCCCC(=O)N1CCc2c(C1)c(nn2C)-c1ccc(cc1)C(C)(C)C(O)=O Show InChI InChI=1S/C24H33N3O3/c1-5-6-7-8-9-21(28)27-15-14-20-19(16-27)22(25-26(20)4)17-10-12-18(13-11-17)24(2,3)23(29)30/h10-13H,5-9,14-16H2,1-4H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.22E+3	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