BDBM50477403 CHEMBL239166

SMILES: Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cc(Cl)cc2n1

InChI Key: InChIKey=SKNMBSOAQOXCLB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50477403   

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))	BDBM50477403 (CHEMBL239166) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cc(Cl)cc2n1 Show InChI InChI=1S/C26H28ClN3O3/c1-17-2-4-21-22(28-17)14-20(27)15-25(21)32-11-10-30-8-6-18(7-9-30)12-19-3-5-24-23(13-19)29-26(31)16-33-24/h2-5,13-15,18H,6-12,16H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	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]WAY-100635 from human cloned 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1033-6 (2007) Article DOI: 10.1016/j.bmcl.2006.11.031 BindingDB Entry DOI: 10.7270/Q2348P5G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50477403 (CHEMBL239166) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cc(Cl)cc2n1 Show InChI InChI=1S/C26H28ClN3O3/c1-17-2-4-21-22(28-17)14-20(27)15-25(21)32-11-10-30-8-6-18(7-9-30)12-19-3-5-24-23(13-19)29-26(31)16-33-24/h2-5,13-15,18H,6-12,16H2,1H3,(H,29,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake at SERT in rat cortical synaptosomes				Bioorg Med Chem Lett 17: 1033-6 (2007) Article DOI: 10.1016/j.bmcl.2006.11.031 BindingDB Entry DOI: 10.7270/Q2348P5G
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50477403 (CHEMBL239166) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cc(Cl)cc2n1 Show InChI InChI=1S/C26H28ClN3O3/c1-17-2-4-21-22(28-17)14-20(27)15-25(21)32-11-10-30-8-6-18(7-9-30)12-19-3-5-24-23(13-19)29-26(31)16-33-24/h2-5,13-15,18H,6-12,16H2,1H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	794	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]5-HT from human cloned 5HT1D receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1033-6 (2007) Article DOI: 10.1016/j.bmcl.2006.11.031 BindingDB Entry DOI: 10.7270/Q2348P5G
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50477403 (CHEMBL239166) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cc(Cl)cc2n1 Show InChI InChI=1S/C26H28ClN3O3/c1-17-2-4-21-22(28-17)14-20(27)15-25(21)32-11-10-30-8-6-18(7-9-30)12-19-3-5-24-23(13-19)29-26(31)16-33-24/h2-5,13-15,18H,6-12,16H2,1H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.26E+3	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]5-HT from human cloned 5HT1B receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1033-6 (2007) Article DOI: 10.1016/j.bmcl.2006.11.031 BindingDB Entry DOI: 10.7270/Q2348P5G
					More data for this Ligand-Target Pair