Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM372078'   

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))	BDBM372078 (2-(8-(1H-Indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8...) Show SMILES CN(CC(F)(F)F)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O Show InChI InChI=1S/C26H27F3N6O3/c1-32(16-26(27,28)29)22(36)15-34-17-35(20-5-3-2-4-6-20)25(24(34)38)9-11-33(12-10-25)23(37)18-7-8-21-19(13-18)14-30-31-21/h2-8,13-14H,9-12,15-17H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.7	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				J Med Chem 51: 2816-32 (2008) BindingDB Entry DOI: 10.7270/Q2D220ZB
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