BDBM50054762 CHEMBL143512::Trifluoro-methanesulfonic acid 3-(2-amino-ethyl)-1H-indol-5-yl ester

SMILES: NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12

InChI Key: InChIKey=GUJBOPKUKWHUKV-UHFFFAOYSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50054762   

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 1D (Homo sapiens (Human))	BDBM50054762 (CHEMBL143512 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C11H11F3N2O3S/c12-11(13,14)20(17,18)19-8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3-4,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	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 1B (Homo sapiens (Human))	BDBM50054762 (CHEMBL143512 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C11H11F3N2O3S/c12-11(13,14)20(17,18)19-8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3-4,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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 beta 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 1B (Homo sapiens (Human))	BDBM50054762 (CHEMBL143512 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C11H11F3N2O3S/c12-11(13,14)20(17,18)19-8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3-4,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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 1A (Homo sapiens (Human))	BDBM50054762 (CHEMBL143512 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C11H11F3N2O3S/c12-11(13,14)20(17,18)19-8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3-4,15H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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 1A receptor 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))	BDBM50054762 (CHEMBL143512 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C11H11F3N2O3S/c12-11(13,14)20(17,18)19-8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3-4,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	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 alpha 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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50054762 (CHEMBL143512 | Trifluoro-methanesulfonic acid 3-(2...) Show SMILES NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C11H11F3N2O3S/c12-11(13,14)20(17,18)19-8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3-4,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	658	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 dopamine D2 receptor 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