Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 411.5 BDBM50080889

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 1D (Homo sapiens (Human))	BDBM50080889 (3-((2R,3aR,6aR)-5-Benzyl-1-methyl-octahydro-pyrrol...) Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2ccnc2)C[C@@H]2CN(Cc3ccccc3)C[C@H]12 Show InChI InChI=1S/C26H29N5/c1-29-23(12-21-16-30(17-26(21)29)15-19-5-3-2-4-6-19)11-20-14-28-25-8-7-22(13-24(20)25)31-10-9-27-18-31/h2-10,13-14,18,21,23,26,28H,11-12,15-17H2,1H3/t21-,23+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)				Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50080889 (3-((2R,3aR,6aR)-5-Benzyl-1-methyl-octahydro-pyrrol...) Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2ccnc2)C[C@@H]2CN(Cc3ccccc3)C[C@H]12 Show InChI InChI=1S/C26H29N5/c1-29-23(12-21-16-30(17-26(21)29)15-19-5-3-2-4-6-19)11-20-14-28-25-8-7-22(13-24(20)25)31-10-9-27-18-31/h2-10,13-14,18,21,23,26,28H,11-12,15-17H2,1H3/t21-,23+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)				Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P
					More data for this Ligand-Target Pair