Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50004811'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50004811 (8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-iodo-benz...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1ccc(I)cc1)C2=O)c1ccccc1 Show InChI InChI=1S/C30H31FIN3O2/c31-25-12-10-24(11-13-25)28(36)7-4-18-33-19-16-30(17-20-33)29(37)34(21-23-8-14-26(32)15-9-23)22-35(30)27-5-2-1-3-6-27/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	0.213	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
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