Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM50306326'   

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))	BDBM50306326 (CHEMBL603485 | ethyl(6aS,13bR)-11-chloro-12-hydrox...) Show SMILES CCOC(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31 |r| Show InChI InChI=1S/C22H25ClN2O3/c1-3-28-22(27)24-15-5-6-16-13(10-15)4-7-19-21(16)17-12-20(26)18(23)11-14(17)8-9-25(19)2/h5-6,10-12,19,21,26H,3-4,7-9H2,1-2H3,(H,24,27)/t19-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to dopamine D1 receptor				Bioorg Med Chem Lett 20: 836-40 (2010) Article DOI: 10.1016/j.bmcl.2009.12.100 BindingDB Entry DOI: 10.7270/Q23N23HT
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