BDBM50545115 CHEMBL4633986

SMILES: CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(N2CCCCC2)c2ccccc2n(C)c1=O

InChI Key: InChIKey=XLZIGNHVEZZVFI-UHFFFAOYSA-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 = 50545115   

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
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50545115 (CHEMBL4633986) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(N2CCCCC2)c2ccccc2n(C)c1=O Show InChI InChI=1S/C26H25F6N3O2/c1-33(15-16-12-17(25(27,28)29)14-18(13-16)26(30,31)32)23(36)21-22(35-10-6-3-7-11-35)19-8-4-5-9-20(19)34(2)24(21)37/h4-5,8-9,12-14H,3,6-7,10-11,15H2,1-2H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal FLAG-tagged SMS1 expressed in mammalian expression system using C14-phosphatidylcholineD72 and C17-ceramid...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50545115 (CHEMBL4633986) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(N2CCCCC2)c2ccccc2n(C)c1=O Show InChI InChI=1S/C26H25F6N3O2/c1-33(15-16-12-17(25(27,28)29)14-18(13-16)26(30,31)32)23(36)21-22(35-10-6-3-7-11-35)19-8-4-5-9-20(19)34(2)24(21)37/h4-5,8-9,12-14H,3,6-7,10-11,15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal FLAG-tagged SMS2 expressed in Freestyle293 cell membrane using C14-phosphatidylcholineD72 and C17-ceramide...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair