Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 497.9 BDBM50475422

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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 1B (Homo sapiens (Human))	BDBM50475422 (CHEMBL372731) Show SMILES COc1cc2CCN(C(=O)Oc3cccc(c3Cl)C(F)(F)F)c2cc1N1C[C@H](C)N(C)[C@H](C)C1 Show InChI InChI=1S/C24H27ClF3N3O3/c1-14-12-30(13-15(2)29(14)3)19-11-18-16(10-21(19)33-4)8-9-31(18)23(32)34-20-7-5-6-17(22(20)25)24(26,27)28/h5-7,10-11,14-15H,8-9,12-13H2,1-4H3/t14-,15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity against cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 15: 4708-12 (2005) Article DOI: 10.1016/j.bmcl.2005.07.085 BindingDB Entry DOI: 10.7270/Q2CC13F8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50475422 (CHEMBL372731) Show SMILES COc1cc2CCN(C(=O)Oc3cccc(c3Cl)C(F)(F)F)c2cc1N1C[C@H](C)N(C)[C@H](C)C1 Show InChI InChI=1S/C24H27ClF3N3O3/c1-14-12-30(13-15(2)29(14)3)19-11-18-16(10-21(19)33-4)8-9-31(18)23(32)34-20-7-5-6-17(22(20)25)24(26,27)28/h5-7,10-11,14-15H,8-9,12-13H2,1-4H3/t14-,15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity against cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 15: 4708-12 (2005) Article DOI: 10.1016/j.bmcl.2005.07.085 BindingDB Entry DOI: 10.7270/Q2CC13F8
					More data for this Ligand-Target Pair