BDBM50516859 CHEMBL4515025

SMILES: COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5CCCCn5c4=O)C3)c2c1

InChI Key: InChIKey=BWADFMDVKFFWLP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50516859   

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))	BDBM50516859 (CHEMBL4515025) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5CCCCn5c4=O)C3)c2c1 Show InChI InChI=1S/C32H38N4O3/c1-39-25-14-15-28-26(20-25)27(21-33-28)24-12-9-17-34(22-24)16-7-8-19-36-31(37)30(23-10-3-2-4-11-23)29-13-5-6-18-35(29)32(36)38/h2-4,10-11,14-15,20-21,24,33H,5-9,12-13,16-19,22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50516859 (CHEMBL4515025) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5CCCCn5c4=O)C3)c2c1 Show InChI InChI=1S/C32H38N4O3/c1-39-25-14-15-28-26(20-25)27(21-33-28)24-12-9-17-34(22-24)16-7-8-19-36-31(37)30(23-10-3-2-4-11-23)29-13-5-6-18-35(29)32(36)38/h2-4,10-11,14-15,20-21,24,33H,5-9,12-13,16-19,22H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027
					More data for this Ligand-Target Pair