BDBM50412720 CHEMBL461627

SMILES: COC(=O)c1coc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c12

InChI Key: InChIKey=HMILUIFVMYFSEQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50412720   

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 2A (Homo sapiens (Human))	BDBM50412720 (CHEMBL461627) Show SMILES COC(=O)c1coc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c12 Show InChI InChI=1S/C23H23FN2O5/c1-29-23(28)17-12-30-20-9-13(8-18(27)21(17)20)11-26-6-4-14(5-7-26)22-16-3-2-15(24)10-19(16)31-25-22/h2-3,10,12-14H,4-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50412720 (CHEMBL461627) Show SMILES COC(=O)c1coc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c12 Show InChI InChI=1S/C23H23FN2O5/c1-29-23(28)17-12-30-20-9-13(8-18(27)21(17)20)11-26-6-4-14(5-7-26)22-16-3-2-15(24)10-19(16)31-25-22/h2-3,10,12-14H,4-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D2 receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50412720 (CHEMBL461627) Show SMILES COC(=O)c1coc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c12 Show InChI InChI=1S/C23H23FN2O5/c1-29-23(28)17-12-30-20-9-13(8-18(27)21(17)20)11-26-6-4-14(5-7-26)22-16-3-2-15(24)10-19(16)31-25-22/h2-3,10,12-14H,4-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
					More data for this Ligand-Target Pair