BDBM50004801 3-(3-Fluoro-benzyl)-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one::CHEMBL137648

SMILES: Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1cccc(F)c1)C2=O)c1ccccc1

InChI Key: InChIKey=DXZKTRNEOISOCA-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 = 50004801   

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))	BDBM50004801 (3-(3-Fluoro-benzyl)-8-[4-(4-fluoro-phenyl)-4-oxo-b...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1cccc(F)c1)C2=O)c1ccccc1 Show InChI InChI=1S/C30H31F2N3O2/c31-25-13-11-24(12-14-25)28(36)10-5-17-33-18-15-30(16-19-33)29(37)34(21-23-6-4-7-26(32)20-23)22-35(30)27-8-2-1-3-9-27/h1-4,6-9,11-14,20H,5,10,15-19,21-22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from dopamine receptor D2				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...)	BDBM50004801 (3-(3-Fluoro-benzyl)-8-[4-(4-fluoro-phenyl)-4-oxo-b...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1cccc(F)c1)C2=O)c1ccccc1 Show InChI InChI=1S/C30H31F2N3O2/c31-25-13-11-24(12-14-25)28(36)10-5-17-33-18-15-30(16-19-33)29(37)34(21-23-6-4-7-26(32)20-23)22-35(30)27-8-2-1-3-9-27/h1-4,6-9,11-14,20H,5,10,15-19,21-22H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	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