null

SMILES: COc1ccccc1N1CCN(CCN2C(c3ccc(I)cc3C2=O)c2ccccc2)CC1

InChI Key: InChIKey=JYECURKTQIXZMD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50062268   

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 (Rattus norvegicus (rat))	BDBM50062268 (6-Iodo-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...) Show SMILES COc1ccccc1N1CCN(CCN2C(c3ccc(I)cc3C2=O)c2ccccc2)CC1 Show InChI InChI=1S/C27H28IN3O2/c1-33-25-10-6-5-9-24(25)30-16-13-29(14-17-30)15-18-31-26(20-7-3-2-4-8-20)22-12-11-21(28)19-23(22)27(31)32/h2-12,19,26H,13-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.				J Med Chem 41: 157-66 (1998) Article DOI: 10.1021/jm970296s BindingDB Entry DOI: 10.7270/Q2TX3DH6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50062268 (6-Iodo-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...) Show SMILES COc1ccccc1N1CCN(CCN2C(c3ccc(I)cc3C2=O)c2ccccc2)CC1 Show InChI InChI=1S/C27H28IN3O2/c1-33-25-10-6-5-9-24(25)30-16-13-29(14-17-30)15-18-31-26(20-7-3-2-4-8-20)22-12-11-21(28)19-23(22)27(31)32/h2-12,19,26H,13-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.				J Med Chem 41: 157-66 (1998) Article DOI: 10.1021/jm970296s BindingDB Entry DOI: 10.7270/Q2TX3DH6
					More data for this Ligand-Target Pair