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SMILES: CC(C)c1ccc(C)cc1OCc1ccc(cc1)-c1nnco1

InChI Key: InChIKey=JWJJBNLDNFXLNE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 36972   

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))	BDBM36972 (2-[4-[(2-isopropyl-5-methyl-phenoxy)methyl]phenyl]...) Show SMILES CC(C)c1ccc(C)cc1OCc1ccc(cc1)-c1nnco1 Show InChI InChI=1S/C19H20N2O2/c1-13(2)17-9-4-14(3)10-18(17)22-11-15-5-7-16(8-6-15)19-21-20-12-23-19/h4-10,12-13H,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.72E+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/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36972 (2-[4-[(2-isopropyl-5-methyl-phenoxy)methyl]phenyl]...) Show SMILES CC(C)c1ccc(C)cc1OCc1ccc(cc1)-c1nnco1 Show InChI InChI=1S/C19H20N2O2/c1-13(2)17-9-4-14(3)10-18(17)22-11-15-5-7-16(8-6-15)19-21-20-12-23-19/h4-10,12-13H,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>9.51E+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/Q25X2795
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM36972 (2-[4-[(2-isopropyl-5-methyl-phenoxy)methyl]phenyl]...) Show SMILES CC(C)c1ccc(C)cc1OCc1ccc(cc1)-c1nnco1 Show InChI InChI=1S/C19H20N2O2/c1-13(2)17-9-4-14(3)10-18(17)22-11-15-5-7-16(8-6-15)19-21-20-12-23-19/h4-10,12-13H,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2WS8RVZ
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM36972 (2-[4-[(2-isopropyl-5-methyl-phenoxy)methyl]phenyl]...) Show SMILES CC(C)c1ccc(C)cc1OCc1ccc(cc1)-c1nnco1 Show InChI InChI=1S/C19H20N2O2/c1-13(2)17-9-4-14(3)10-18(17)22-11-15-5-7-16(8-6-15)19-21-20-12-23-19/h4-10,12-13H,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CN72C0
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM36972 (2-[4-[(2-isopropyl-5-methyl-phenoxy)methyl]phenyl]...) Show SMILES CC(C)c1ccc(C)cc1OCc1ccc(cc1)-c1nnco1 Show InChI InChI=1S/C19H20N2O2/c1-13(2)17-9-4-14(3)10-18(17)22-11-15-5-7-16(8-6-15)19-21-20-12-23-19/h4-10,12-13H,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25M6443
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36972 (2-[4-[(2-isopropyl-5-methyl-phenoxy)methyl]phenyl]...) Show SMILES CC(C)c1ccc(C)cc1OCc1ccc(cc1)-c1nnco1 Show InChI InChI=1S/C19H20N2O2/c1-13(2)17-9-4-14(3)10-18(17)22-11-15-5-7-16(8-6-15)19-21-20-12-23-19/h4-10,12-13H,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.43E+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/Q2251GJ9
					More data for this Ligand-Target Pair