null

SMILES: CCOC(=O)CN(C(=O)CSc1nnc(COc2ccc(OC)cc2)n1C)c1ccccc1

InChI Key: InChIKey=QRRGCGXRHZNVOQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 41643   

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 2 (Homo sapiens (Human))	BDBM41643 (({2-[5-(4-Methoxy-phenoxymethyl)-4-methyl-4H-[1,2,...) Show SMILES CCOC(=O)CN(C(=O)CSc1nnc(COc2ccc(OC)cc2)n1C)c1ccccc1 Show InChI InChI=1S/C23H26N4O5S/c1-4-31-22(29)14-27(17-8-6-5-7-9-17)21(28)16-33-23-25-24-20(26(23)2)15-32-19-12-10-18(30-3)11-13-19/h5-13H,4,14-16H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>5.00E+4	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/Q26D5RD0
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM41643 (({2-[5-(4-Methoxy-phenoxymethyl)-4-methyl-4H-[1,2,...) Show SMILES CCOC(=O)CN(C(=O)CSc1nnc(COc2ccc(OC)cc2)n1C)c1ccccc1 Show InChI InChI=1S/C23H26N4O5S/c1-4-31-22(29)14-27(17-8-6-5-7-9-17)21(28)16-33-23-25-24-20(26(23)2)15-32-19-12-10-18(30-3)11-13-19/h5-13H,4,14-16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.26E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM41643 (({2-[5-(4-Methoxy-phenoxymethyl)-4-methyl-4H-[1,2,...) Show SMILES CCOC(=O)CN(C(=O)CSc1nnc(COc2ccc(OC)cc2)n1C)c1ccccc1 Show InChI InChI=1S/C23H26N4O5S/c1-4-31-22(29)14-27(17-8-6-5-7-9-17)21(28)16-33-23-25-24-20(26(23)2)15-32-19-12-10-18(30-3)11-13-19/h5-13H,4,14-16H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>5.00E+4	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/Q2902257
					More data for this Ligand-Target Pair