BDBM50004812 8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-methoxy-benzyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one::CHEMBL335606

SMILES: COc1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1

InChI Key: InChIKey=ARMCHIDXFRTTKY-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 = 50004812   

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))	BDBM50004812 (8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-methoxy-b...) Show SMILES COc1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1 Show InChI InChI=1S/C31H34FN3O3/c1-38-28-15-9-24(10-16-28)22-34-23-35(27-6-3-2-4-7-27)31(30(34)37)17-20-33(21-18-31)19-5-8-29(36)25-11-13-26(32)14-12-25/h2-4,6-7,9-16H,5,8,17-23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0870	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...)	BDBM50004812 (8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-methoxy-b...) Show SMILES COc1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1 Show InChI InChI=1S/C31H34FN3O3/c1-38-28-15-9-24(10-16-28)22-34-23-35(27-6-3-2-4-7-27)31(30(34)37)17-20-33(21-18-31)19-5-8-29(36)25-11-13-26(32)14-12-25/h2-4,6-7,9-16H,5,8,17-23H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	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