Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM50214407'   

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(1A) dopamine receptor (Homo sapiens (Human))	BDBM50214407 ((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidi...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC1CCCCC1)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N1CCC[C@H]1C(N)=O |c:35| Show InChI InChI=1S/C36H50N6O4/c1-21(2)32(36(46)42-16-8-13-29(42)33(37)43)40-35(45)28(15-14-22-9-5-4-6-10-22)39-34(44)24-17-26-25-11-7-12-27-31(25)23(19-38-27)18-30(26)41(3)20-24/h7,11-12,17,19,21-22,24,28-30,32,38H,4-6,8-10,13-16,18,20H2,1-3H3,(H2,37,43)(H,39,44)(H,40,45)/t24-,28+,29+,30-,32+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a
Institut d'Investigacions Biomèdiques August Pi i Curated by ChEMBL					Assay Description Displacement of [3H]SCH 23390 from dopamine D1 receptor in lamb striatum membrane after 1 hr				J Med Chem 50: 3062-9 (2007) Article DOI: 10.1021/jm060947x BindingDB Entry DOI: 10.7270/Q2BP02GQ
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