null

SMILES: CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1

InChI Key: InChIKey=WPWJXQYRFIKQJT-HNNXBMFYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 36918   

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))	BDBM36918 (MLS000040800 | N-[(1S)-1-[5-[[2-(4-bromoanilino)-2...) Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 Show InChI InChI=1S/C19H25BrN4O4S/c1-11(2)15(22-17(26)28-19(3,4)5)16-23-24-18(27-16)29-10-14(25)21-13-8-6-12(20)7-9-13/h6-9,11,15H,10H2,1-5H3,(H,21,25)(H,22,26)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.63E+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/Q2ZC817P
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Mus musculus)	BDBM36918 (MLS000040800 | N-[(1S)-1-[5-[[2-(4-bromoanilino)-2...) Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 Show InChI InChI=1S/C19H25BrN4O4S/c1-11(2)15(22-17(26)28-19(3,4)5)16-23-24-18(27-16)29-10-14(25)21-13-8-6-12(20)7-9-13/h6-9,11,15H,10H2,1-5H3,(H,21,25)(H,22,26)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.86E+4	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: Confirmation testing of small molecules identifie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2P55KXK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36918 (MLS000040800 | N-[(1S)-1-[5-[[2-(4-bromoanilino)-2...) Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 Show InChI InChI=1S/C19H25BrN4O4S/c1-11(2)15(22-17(26)28-19(3,4)5)16-23-24-18(27-16)29-10-14(25)21-13-8-6-12(20)7-9-13/h6-9,11,15H,10H2,1-5H3,(H,21,25)(H,22,26)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.47E+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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36918 (MLS000040800 | N-[(1S)-1-[5-[[2-(4-bromoanilino)-2...) Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 Show InChI InChI=1S/C19H25BrN4O4S/c1-11(2)15(22-17(26)28-19(3,4)5)16-23-24-18(27-16)29-10-14(25)21-13-8-6-12(20)7-9-13/h6-9,11,15H,10H2,1-5H3,(H,21,25)(H,22,26)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+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/Q25X2795
					More data for this Ligand-Target Pair