Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 534.6 BDBM50475418

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

Found 3 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))	BDBM50475418 (CHEMBL434355) Show SMILES CCN1[C@@H](C)CN(C[C@H]1C)c1cc2N(CCc2cc1OC)C(=O)c1ccc(-c2cccc(C)n2)c2ccccc12 Show InChI InChI=1S/C34H38N4O2/c1-6-37-23(3)20-36(21-24(37)4)32-19-31-25(18-33(32)40-5)16-17-38(31)34(39)29-15-14-28(26-11-7-8-12-27(26)29)30-13-9-10-22(2)35-30/h7-15,18-19,23-24H,6,16-17,20-21H2,1-5H3/t23-,24+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	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))	BDBM50475418 (CHEMBL434355) Show SMILES CCN1[C@@H](C)CN(C[C@H]1C)c1cc2N(CCc2cc1OC)C(=O)c1ccc(-c2cccc(C)n2)c2ccccc12 Show InChI InChI=1S/C34H38N4O2/c1-6-37-23(3)20-36(21-24(37)4)32-19-31-25(18-33(32)40-5)16-17-38(31)34(39)29-15-14-28(26-11-7-8-12-27(26)29)30-13-9-10-22(2)35-30/h7-15,18-19,23-24H,6,16-17,20-21H2,1-5H3/t23-,24+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50475418 (CHEMBL434355) Show SMILES CCN1[C@@H](C)CN(C[C@H]1C)c1cc2N(CCc2cc1OC)C(=O)c1ccc(-c2cccc(C)n2)c2ccccc12 Show InChI InChI=1S/C34H38N4O2/c1-6-37-23(3)20-36(21-24(37)4)32-19-31-25(18-33(32)40-5)16-17-38(31)34(39)29-15-14-28(26-11-7-8-12-27(26)29)30-13-9-10-22(2)35-30/h7-15,18-19,23-24H,6,16-17,20-21H2,1-5H3/t23-,24+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	501	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 1A 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