Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50054757'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054757 (CHEMBL143510 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C15H19F3N2O3S/c1-3-20(4-2)8-7-11-10-19-14-6-5-12(9-13(11)14)23-24(21,22)15(16,17)18/h5-6,9-10,19H,3-4,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor alpha expressed in CHO-K1 cells.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054757 (CHEMBL143510 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C15H19F3N2O3S/c1-3-20(4-2)8-7-11-10-19-14-6-5-12(9-13(11)14)23-24(21,22)15(16,17)18/h5-6,9-10,19H,3-4,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D receptor beta measured as the reduction of forskolin-stimulated cAMP.				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054757 (CHEMBL143510 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C15H19F3N2O3S/c1-3-20(4-2)8-7-11-10-19-14-6-5-12(9-13(11)14)23-24(21,22)15(16,17)18/h5-6,9-10,19H,3-4,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Compound was tested for binding affinity against human 5-hydroxytryptamine 1D receptor alpha clones expressed in human embryonic kidney (HEK 293) cel...				J Med Chem 39: 4717-26 (1997) Article DOI: 10.1021/jm9604890 BindingDB Entry DOI: 10.7270/Q2R210GS
					More data for this Ligand-Target Pair