Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50436545'   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50436545 (CHEMBL2397478) Show SMILES CCCCn1ncc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2CCC(=CC2)C#C)n1 |r,c:35| Show InChI InChI=1S/C32H47N5O3/c1-5-8-22-37-34-25-28(35-37)12-11-23-40-30-18-15-27(24-31(30)39-4)32(38)33-19-9-10-21-36(20-6-2)29-16-13-26(7-3)14-17-29/h3,13,15,18,24-25,29H,5-6,8-12,14,16-17,19-23H2,1-2,4H3,(H,33,38)/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				J Med Chem 56: 5130-41 (2013) Article DOI: 10.1021/jm400520c BindingDB Entry DOI: 10.7270/Q2PR7XDM
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