BDBM50545123 CHEMBL4638337

SMILES: COc1cc(CN(C)C(=O)c2c(OCCCC3CCN(CC3)C(=O)OC(C)(C)C)c3ccccc3n(C)c2=O)cc(OC)c1

InChI Key: InChIKey=SCSLAGQTUPXARO-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 = 50545123   

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 2 (Homo sapiens (Human))	BDBM50545123 (CHEMBL4638337) Show SMILES COc1cc(CN(C)C(=O)c2c(OCCCC3CCN(CC3)C(=O)OC(C)(C)C)c3ccccc3n(C)c2=O)cc(OC)c1 Show InChI InChI=1S/C34H45N3O7/c1-34(2,3)44-33(40)37-16-14-23(15-17-37)11-10-18-43-30-27-12-8-9-13-28(27)36(5)32(39)29(30)31(38)35(4)22-24-19-25(41-6)21-26(20-24)42-7/h8-9,12-13,19-21,23H,10-11,14-18,22H2,1-7H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	91	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
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50545123 (CHEMBL4638337) Show SMILES COc1cc(CN(C)C(=O)c2c(OCCCC3CCN(CC3)C(=O)OC(C)(C)C)c3ccccc3n(C)c2=O)cc(OC)c1 Show InChI InChI=1S/C34H45N3O7/c1-34(2,3)44-33(40)37-16-14-23(15-17-37)11-10-18-43-30-27-12-8-9-13-28(27)36(5)32(39)29(30)31(38)35(4)22-24-19-25(41-6)21-26(20-24)42-7/h8-9,12-13,19-21,23H,10-11,14-18,22H2,1-7H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.90E+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 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 (Mus musculus)	BDBM50545123 (CHEMBL4638337) Show SMILES COc1cc(CN(C)C(=O)c2c(OCCCC3CCN(CC3)C(=O)OC(C)(C)C)c3ccccc3n(C)c2=O)cc(OC)c1 Show InChI InChI=1S/C34H45N3O7/c1-34(2,3)44-33(40)37-16-14-23(15-17-37)11-10-18-43-30-27-12-8-9-13-28(27)36(5)32(39)29(30)31(38)35(4)22-24-19-25(41-6)21-26(20-24)42-7/h8-9,12-13,19-21,23H,10-11,14-18,22H2,1-7H3	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of mouse recombinant C-terminal FLAG-tagged SMS2 expressed in mammalian expression system using C14-phosphatidylcholineD72 and C17-ceramid...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair