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SMILES: CCCc1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1

InChI Key: InChIKey=MWEBTRAFRKXWQA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 31050   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM31050 (6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazol...) Show SMILES CCCc1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:9| Show InChI InChI=1S/C15H18N4O2S/c1-4-5-14-16-17-15-19(14)18-11(9-22-15)10-6-7-12(20-2)13(8-10)21-3/h6-8H,4-5,9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2S46Q8P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM31050 (6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazol...) Show SMILES CCCc1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:9| Show InChI InChI=1S/C15H18N4O2S/c1-4-5-14-16-17-15-19(14)18-11(9-22-15)10-6-7-12(20-2)13(8-10)21-3/h6-8H,4-5,9H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2D50KC1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1E (Homo sapiens (Human))	BDBM31050 (6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazol...) Show SMILES CCCc1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:9| Show InChI InChI=1S/C15H18N4O2S/c1-4-5-14-16-17-15-19(14)18-11(9-22-15)10-6-7-12(20-2)13(8-10)21-3/h6-8H,4-5,9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2KH0KNM
					More data for this Ligand-Target Pair