Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM50029395'   

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)	BDBM50029395 (8-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-5-meth...) Show SMILES CN1CCN(CC11CCC1)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1 Show InChI InChI=1S/C23H26ClFN2/c1-26-11-12-27(15-23(26)9-2-10-23)22-14-20(16-3-6-18(25)7-4-16)19-8-5-17(24)13-21(19)22/h3-8,13,20,22H,2,9-12,14-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.				J Med Chem 38: 4380-92 (1995) BindingDB Entry DOI: 10.7270/Q28C9V87
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