BDBM50004809 8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-nitro-benzyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one::CHEMBL337181

SMILES: [O-][N+](=O)c1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1

InChI Key: InChIKey=LUQXMQICZKCESV-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 = 50004809   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50004809 (8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-nitro-ben...) Show SMILES [O-][N+](=O)c1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1 Show InChI InChI=1S/C30H31FN4O4/c31-25-12-10-24(11-13-25)28(36)7-4-18-32-19-16-30(17-20-32)29(37)33(22-34(30)26-5-2-1-3-6-26)21-23-8-14-27(15-9-23)35(38)39/h1-3,5-6,8-15H,4,7,16-22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 by displacing [3H]-spiperone				J Med Chem 35: 423-30 (1992) BindingDB Entry DOI: 10.7270/Q2B85725
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50004809 (8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-nitro-ben...) Show SMILES [O-][N+](=O)c1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1 Show InChI InChI=1S/C30H31FN4O4/c31-25-12-10-24(11-13-25)28(36)7-4-18-32-19-16-30(17-20-32)29(37)33(22-34(30)26-5-2-1-3-6-26)21-23-8-14-27(15-9-23)35(38)39/h1-3,5-6,8-15H,4,7,16-22H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description The compound was tested in vitro for binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [125]I-LSD radioligand				J Med Chem 35: 423-30 (1992) BindingDB Entry DOI: 10.7270/Q2B85725
					More data for this Ligand-Target Pair