BDBM36821 1,3-benzodioxol-5-ylmethyl 4-(4-fluorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate::1,3-benzodioxol-5-ylmethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate::4-(4-Fluoro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid benzo[1,3]dioxol-5-ylmethyl ester::4-(4-fluorophenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid piperonyl ester::4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester::MLS000027008::SMR000011115::cid_645210

SMILES: CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccc(F)cc1

InChI Key: InChIKey=MWZUMLFQXTXCOK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 36821   

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 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36821 (1,3-benzodioxol-5-ylmethyl 4-(4-fluorophenyl)-6-me...) Show SMILES CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccc(F)cc1 |t:1| Show InChI InChI=1S/C20H17FN2O5/c1-11-17(18(23-20(25)22-11)13-3-5-14(21)6-4-13)19(24)26-9-12-2-7-15-16(8-12)28-10-27-15/h2-8,17-18H,9-10H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25X2795
					More data for this Ligand-Target Pair
Hsf1 protein (Mus musculus)	BDBM36821 (1,3-benzodioxol-5-ylmethyl 4-(4-fluorophenyl)-6-me...) Show SMILES CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccc(F)cc1 |t:1| Show InChI InChI=1S/C20H17FN2O5/c1-11-17(18(23-20(25)22-11)13-3-5-14(21)6-4-13)19(24)26-9-12-2-7-15-16(8-12)28-10-27-15/h2-8,17-18H,9-10H2,1H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	<160	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36821 (1,3-benzodioxol-5-ylmethyl 4-(4-fluorophenyl)-6-me...) Show SMILES CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccc(F)cc1 |t:1| Show InChI InChI=1S/C20H17FN2O5/c1-11-17(18(23-20(25)22-11)13-3-5-14(21)6-4-13)19(24)26-9-12-2-7-15-16(8-12)28-10-27-15/h2-8,17-18H,9-10H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36821 (1,3-benzodioxol-5-ylmethyl 4-(4-fluorophenyl)-6-me...) Show SMILES CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccc(F)cc1 |t:1| Show InChI InChI=1S/C20H17FN2O5/c1-11-17(18(23-20(25)22-11)13-3-5-14(21)6-4-13)19(24)26-9-12-2-7-15-16(8-12)28-10-27-15/h2-8,17-18H,9-10H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	437	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2251GJ9
					More data for this Ligand-Target Pair