BDBM50061296 1-[4-(2,3-Dimethoxy-phenyl)-piperazin-1-yl]-2-[8-(4-methyl-piperazin-1-yl)-naphthalen-2-yloxy]-ethanone::CHEMBL338015

SMILES: COc1cccc(N2CCN(CC2)C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)c1OC

InChI Key: InChIKey=JHJZWCFGCZBIET-UHFFFAOYSA-N

Data: 3 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50061296   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50061296 (1-[4-(2,3-Dimethoxy-phenyl)-piperazin-1-yl]-2-[8-(...) Show SMILES COc1cccc(N2CCN(CC2)C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)c1OC Show InChI InChI=1S/C29H36N4O4/c1-30-12-14-31(15-13-30)25-7-4-6-22-10-11-23(20-24(22)25)37-21-28(34)33-18-16-32(17-19-33)26-8-5-9-27(35-2)29(26)36-3/h4-11,20H,12-19,21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	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 Receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor in Cos-7 cells				J Med Chem 40: 3974-8 (1998) Article DOI: 10.1021/jm9703552 BindingDB Entry DOI: 10.7270/Q2FT8K57
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50061296 (1-[4-(2,3-Dimethoxy-phenyl)-piperazin-1-yl]-2-[8-(...) Show SMILES COc1cccc(N2CCN(CC2)C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)c1OC Show InChI InChI=1S/C29H36N4O4/c1-30-12-14-31(15-13-30)25-7-4-6-22-10-11-23(20-24(22)25)37-21-28(34)33-18-16-32(17-19-33)26-8-5-9-27(35-2)29(26)36-3/h4-11,20H,12-19,21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	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 Receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor in Cos-7 cells				J Med Chem 40: 3974-8 (1998) Article DOI: 10.1021/jm9703552 BindingDB Entry DOI: 10.7270/Q2FT8K57
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50061296 (1-[4-(2,3-Dimethoxy-phenyl)-piperazin-1-yl]-2-[8-(...) Show SMILES COc1cccc(N2CCN(CC2)C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)c1OC Show InChI InChI=1S/C29H36N4O4/c1-30-12-14-31(15-13-30)25-7-4-6-22-10-11-23(20-24(22)25)37-21-28(34)33-18-16-32(17-19-33)26-8-5-9-27(35-2)29(26)36-3/h4-11,20H,12-19,21H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.4	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 Receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor in HeLa cells				J Med Chem 40: 3974-8 (1998) Article DOI: 10.1021/jm9703552 BindingDB Entry DOI: 10.7270/Q2FT8K57
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50061296 (1-[4-(2,3-Dimethoxy-phenyl)-piperazin-1-yl]-2-[8-(...) Show SMILES COc1cccc(N2CCN(CC2)C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)c1OC Show InChI InChI=1S/C29H36N4O4/c1-30-12-14-31(15-13-30)25-7-4-6-22-10-11-23(20-24(22)25)37-21-28(34)33-18-16-32(17-19-33)26-8-5-9-27(35-2)29(26)36-3/h4-11,20H,12-19,21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description Agonist activity at 5-hydroxytryptamine 1B receptor by measuring the inhibition of forskolin-stimulated cAMP formation				J Med Chem 40: 3974-8 (1998) Article DOI: 10.1021/jm9703552 BindingDB Entry DOI: 10.7270/Q2FT8K57
					More data for this Ligand-Target Pair