Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 375.4 BDBM50060519Purchase

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))	BDBM50060519 (3-(3-Dimethylamino-propyl)-4-hydroxy-N-(4-pyridin-...) Show SMILES CN(C)CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C23H25N3O2/c1-26(2)15-3-4-19-16-20(7-10-22(19)27)23(28)25-21-8-5-17(6-9-21)18-11-13-24-14-12-18/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	12.1	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))	BDBM50060519 (3-(3-Dimethylamino-propyl)-4-hydroxy-N-(4-pyridin-...) Show SMILES CN(C)CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C23H25N3O2/c1-26(2)15-3-4-19-16-20(7-10-22(19)27)23(28)25-21-8-5-17(6-9-21)18-11-13-24-14-12-18/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	14	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))	BDBM50060519 (3-(3-Dimethylamino-propyl)-4-hydroxy-N-(4-pyridin-...) Show SMILES CN(C)CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C23H25N3O2/c1-26(2)15-3-4-19-16-20(7-10-22(19)27)23(28)25-21-8-5-17(6-9-21)18-11-13-24-14-12-18/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	700	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))	BDBM50060519 (3-(3-Dimethylamino-propyl)-4-hydroxy-N-(4-pyridin-...) Show SMILES CN(C)CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C23H25N3O2/c1-26(2)15-3-4-19-16-20(7-10-22(19)27)23(28)25-21-8-5-17(6-9-21)18-11-13-24-14-12-18/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	842	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