BDBM50058316 CHEMBL3331383

SMILES: COc1ccccc1N1CCN(CCCCCn2c3ccccc3sc2=O)CC1

InChI Key: InChIKey=JWGIAFVZOMFXLK-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 = 50058316   

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 7 (Homo sapiens (Human))	BDBM50058316 (CHEMBL3331383) Show SMILES COc1ccccc1N1CCN(CCCCCn2c3ccccc3sc2=O)CC1 Show InChI InChI=1S/C23H29N3O2S/c1-28-21-11-5-3-9-19(21)25-17-15-24(16-18-25)13-7-2-8-14-26-20-10-4-6-12-22(20)29-23(26)27/h3-6,9-12H,2,7-8,13-18H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometry				Eur J Med Chem 85: 716-26 (2014) Article DOI: 10.1016/j.ejmech.2014.08.023 BindingDB Entry DOI: 10.7270/Q2DZ09Z8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50058316 (CHEMBL3331383) Show SMILES COc1ccccc1N1CCN(CCCCCn2c3ccccc3sc2=O)CC1 Show InChI InChI=1S/C23H29N3O2S/c1-28-21-11-5-3-9-19(21)25-17-15-24(16-18-25)13-7-2-8-14-26-20-10-4-6-12-22(20)29-23(26)27/h3-6,9-12H,2,7-8,13-18H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometry				Eur J Med Chem 85: 716-26 (2014) Article DOI: 10.1016/j.ejmech.2014.08.023 BindingDB Entry DOI: 10.7270/Q2DZ09Z8
					More data for this Ligand-Target Pair