Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM50292559'   

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)	BDBM50292559 ((S)-secoobaberine hydrochloride | CHEMBL451463) Show SMILES COc1ccc(C=O)cc1Oc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(OC)c(Oc4cc5C(=O)N(C)CCc5cc4OC)c23)cc1 |r| Show InChI InChI=1S/C38H40N2O8/c1-39-15-14-26-20-34(45-5)36(46-6)37(48-33-21-28-25(19-31(33)44-4)13-16-40(2)38(28)42)35(26)29(39)17-23-7-10-27(11-8-23)47-32-18-24(22-41)9-12-30(32)43-3/h7-12,18-22,29H,13-17H2,1-6H3/t29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor in Wistar rat striatal membrane by liquid scintillation counting				J Nat Prod 55: 1281-1286 (1992) Article DOI: 10.1021/np50087a016 BindingDB Entry DOI: 10.7270/Q2WM1DF2
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