BDBM50507212 CHEMBL4585990

SMILES: O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]ccc2c1

InChI Key: InChIKey=CPQKZLNBCUOHCW-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 = 50507212   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50507212 (CHEMBL4585990) Show SMILES O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C23H26N2O/c26-23(21-7-8-22-20(16-21)10-13-24-22)9-6-18-11-14-25(15-12-18)17-19-4-2-1-3-5-19/h1-5,7-8,10,13,16,18,24H,6,9,11-12,14-15,17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human Jurkat cell membranes after 2 hrs by liquid scintillation counting method				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50507212 (CHEMBL4585990) Show SMILES O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C23H26N2O/c26-23(21-7-8-22-20(16-21)10-13-24-22)9-6-18-11-14-25(15-12-18)17-19-4-2-1-3-5-19/h1-5,7-8,10,13,16,18,24H,6,9,11-12,14-15,17H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from recombinant human 5-HT4BR expressed in membranes after 60 mins				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50507212 (CHEMBL4585990) Show SMILES O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C23H26N2O/c26-23(21-7-8-22-20(16-21)10-13-24-22)9-6-18-11-14-25(15-12-18)17-19-4-2-1-3-5-19/h1-5,7-8,10,13,16,18,24H,6,9,11-12,14-15,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at ...				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064
					More data for this Ligand-Target Pair