BDBM50083276 CHEMBL553514::N-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-2-(3-methyl-adamantan-1-yl)-acetamide; Dihydrochloride

SMILES: COc1ccccc1N1CCN(CCCNC(=O)CC23C[C@H]4C[C@H](C[C@](C)(C4)C2)C3)CC1

InChI Key: InChIKey=JOZXQHYKKHQVEP-GEDOEAAKSA-N

Data: 1 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 1 hit for monomerid = 50083276   

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))	BDBM50083276 (CHEMBL553514 | N-{3-[4-(2-Methoxy-phenyl)-piperazi...) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)CC23C[C@H]4C[C@H](C[C@](C)(C4)C2)C3)CC1 |TLB:26:25:20:23.29.22,THB:24:25:20:23.29.22,24:23:20:25.28.27| Show InChI InChI=1S/C27H41N3O2/c1-26-15-21-14-22(16-26)18-27(17-21,20-26)19-25(31)28-8-5-9-29-10-12-30(13-11-29)23-6-3-4-7-24(23)32-2/h3-4,6-7,21-22H,5,8-20H2,1-2H3,(H,28,31)/t21-,22+,26-,27?	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor				J Med Chem 42: 5077-94 (2000) BindingDB Entry DOI: 10.7270/Q2C82B0P
					More data for this Ligand-Target Pair