Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM50202337'   

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 (RAT)	BDBM50202337 ((S)-3-iodo-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrah...) Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(I)c(O)c(OC)c-2c34)cc1O |r| Show InChI InChI=1S/C19H20INO4/c1-21-5-4-10-15-12(21)6-9-7-13(22)14(24-2)8-11(9)16(15)19(25-3)18(23)17(10)20/h7-8,12,22-23H,4-6H2,1-3H3/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]SCH-23390 from rat dopamine D1 receptor				J Med Chem 50: 171-81 (2007) Article DOI: 10.1021/jm060959i BindingDB Entry DOI: 10.7270/Q22J6CPJ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50202337 ((S)-3-iodo-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrah...) Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(I)c(O)c(OC)c-2c34)cc1O |r| Show InChI InChI=1S/C19H20INO4/c1-21-5-4-10-15-12(21)6-9-7-13(22)14(24-2)8-11(9)16(15)19(25-3)18(23)17(10)20/h7-8,12,22-23H,4-6H2,1-3H3/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Chile Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor in Wistar rat striatal membrane				J Nat Prod 63: 480-4 (2000) BindingDB Entry DOI: 10.7270/Q2Z037W0
					More data for this Ligand-Target Pair