Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(4) dopamine receptor' and Ligand = 'BDBM50505712'   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM50505712 (CHEMBL4445706) Show SMILES COc1ccc(cc1)N(Cc1ccc(cc1)C#N)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C30H36N6O3/c1-38-27-14-12-26(13-15-27)36(23-25-10-8-24(22-31)9-11-25)33-30(37)32-16-5-17-34-18-20-35(21-19-34)28-6-3-4-7-29(28)39-2/h3-4,6-15H,5,16-21,23H2,1-2H3,(H2,32,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H] Spiperone from human D4.4 receptor expressed in CHO cells by competitive radioligand binding assay				J Med Chem 62: 9658-9679 (2019) Article DOI: 10.1021/acs.jmedchem.9b01085 BindingDB Entry DOI: 10.7270/Q2GB27BJ
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