Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 387.4 BDBM50060516

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

Found 4 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))	BDBM50060516 (3-((E)-3-Dimethylamino-propenyl)-4-methoxy-N-(4-py...) Show SMILES COc1ccc(cc1\C=C\CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.6	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 of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-5-CT as radioligand				J Med Chem 40: 3542-50 (1997) Article DOI: 10.1021/jm9702948 BindingDB Entry DOI: 10.7270/Q21R6PNK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50060516 (3-((E)-3-Dimethylamino-propenyl)-4-methoxy-N-(4-py...) Show SMILES COc1ccc(cc1\C=C\CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4+	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
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-GR-125,743 as radioligand				J Med Chem 40: 3542-50 (1997) Article DOI: 10.1021/jm9702948 BindingDB Entry DOI: 10.7270/Q21R6PNK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060516 (3-((E)-3-Dimethylamino-propenyl)-4-methoxy-N-(4-py...) Show SMILES COc1ccc(cc1\C=C\CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	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 of the compound for 5-hydroxytryptamine 1D receptor in Cos-7 transfected cell type using [3H]-5-CT as radioligand				J Med Chem 40: 3542-50 (1997) Article DOI: 10.1021/jm9702948 BindingDB Entry DOI: 10.7270/Q21R6PNK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50060516 (3-((E)-3-Dimethylamino-propenyl)-4-methoxy-N-(4-py...) Show SMILES COc1ccc(cc1\C=C\CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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 of the compound for 5-hydroxytryptamine 1A receptor in HeLa transfected cell type using [3H]-8-OH-DPAT as radioligand				J Med Chem 40: 3542-50 (1997) Article DOI: 10.1021/jm9702948 BindingDB Entry DOI: 10.7270/Q21R6PNK
					More data for this Ligand-Target Pair