BDBM50412433 CHEMBL519010

SMILES: Cc1ccc2c(OCCCN3CC(COc4ccc5OCC(=O)Nc5c4)C3)cccc2n1

InChI Key: InChIKey=FLDHGZLVJPCEQH-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50412433   

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 1A (Homo sapiens (Human))	BDBM50412433 (CHEMBL519010) Show SMILES Cc1ccc2c(OCCCN3CC(COc4ccc5OCC(=O)Nc5c4)C3)cccc2n1 Show InChI InChI=1S/C25H27N3O4/c1-17-6-8-20-21(26-17)4-2-5-23(20)30-11-3-10-28-13-18(14-28)15-31-19-7-9-24-22(12-19)27-25(29)16-32-24/h2,4-9,12,18H,3,10-11,13-16H2,1H3,(H,27,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human cloned 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 5581-5 (2008) Article DOI: 10.1016/j.bmcl.2008.08.110 BindingDB Entry DOI: 10.7270/Q2KH0PKZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50412433 (CHEMBL519010) Show SMILES Cc1ccc2c(OCCCN3CC(COc4ccc5OCC(=O)Nc5c4)C3)cccc2n1 Show InChI InChI=1S/C25H27N3O4/c1-17-6-8-20-21(26-17)4-2-5-23(20)30-11-3-10-28-13-18(14-28)15-31-19-7-9-24-22(12-19)27-25(29)16-32-24/h2,4-9,12,18H,3,10-11,13-16H2,1H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human cloned 5HT1D receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 5581-5 (2008) Article DOI: 10.1016/j.bmcl.2008.08.110 BindingDB Entry DOI: 10.7270/Q2KH0PKZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50412433 (CHEMBL519010) Show SMILES Cc1ccc2c(OCCCN3CC(COc4ccc5OCC(=O)Nc5c4)C3)cccc2n1 Show InChI InChI=1S/C25H27N3O4/c1-17-6-8-20-21(26-17)4-2-5-23(20)30-11-3-10-28-13-18(14-28)15-31-19-7-9-24-22(12-19)27-25(29)16-32-24/h2,4-9,12,18H,3,10-11,13-16H2,1H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human cloned 5HT1B receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 5581-5 (2008) Article DOI: 10.1016/j.bmcl.2008.08.110 BindingDB Entry DOI: 10.7270/Q2KH0PKZ
					More data for this Ligand-Target Pair