BDBM50070801 CHEMBL3409255

SMILES: O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCOc2ccc3ccoc3c2)CC1

InChI Key: InChIKey=VFHUXBVWZQEOJG-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 = 50070801   

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 6 (Homo sapiens (Human))	BDBM50070801 (CHEMBL3409255) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCOc2ccc3ccoc3c2)CC1 Show InChI InChI=1S/C29H29N3O4S/c33-37(34,25-6-2-1-3-7-25)32-15-12-26-27(8-4-9-28(26)32)31-18-16-30(17-19-31)14-5-20-35-24-11-10-23-13-21-36-29(23)22-24/h1-4,6-13,15,21-22H,5,14,16-20H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Collegium Medicum Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method				Eur J Med Chem 92: 221-35 (2015) Article DOI: 10.1016/j.ejmech.2014.12.045 BindingDB Entry DOI: 10.7270/Q2Q241XV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50070801 (CHEMBL3409255) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCOc2ccc3ccoc3c2)CC1 Show InChI InChI=1S/C29H29N3O4S/c33-37(34,25-6-2-1-3-7-25)32-15-12-26-27(8-4-9-28(26)32)31-18-16-30(17-19-31)14-5-20-35-24-11-10-23-13-21-36-29(23)22-24/h1-4,6-13,15,21-22H,5,14,16-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Collegium Medicum Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in CHOK1 cells incubated for 60 mins by scintillation cou...				Eur J Med Chem 92: 221-35 (2015) Article DOI: 10.1016/j.ejmech.2014.12.045 BindingDB Entry DOI: 10.7270/Q2Q241XV
					More data for this Ligand-Target Pair