Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50033435'   

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))	BDBM50033435 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(4-nit...) Show SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc12 Show InChI InChI=1S/C22H25N5O4/c23-8-7-16-14-24-21-6-5-19(13-20(16)21)31-15-22(28)26-11-9-25(10-12-26)17-1-3-18(4-2-17)27(29)30/h1-6,13-14,24H,7-12,15,23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description Binding affinity to recombinant human 5-hydroxytryptamine 1D receptor alpha				J Med Chem 38: 3602-7 (1995) BindingDB Entry DOI: 10.7270/Q25M66C2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50033435 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(4-nit...) Show SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc12 Show InChI InChI=1S/C22H25N5O4/c23-8-7-16-14-24-21-6-5-19(13-20(16)21)31-15-22(28)26-11-9-25(10-12-26)17-1-3-18(4-2-17)27(29)30/h1-6,13-14,24H,7-12,15,23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description Binding affinity for cloned human 5-hydroxytryptamine 1D receptor beta				J Med Chem 38: 3602-7 (1995) BindingDB Entry DOI: 10.7270/Q25M66C2
					More data for this Ligand-Target Pair