Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor' and Ligand = 'BDBM50282281'   

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
Type-1 angiotensin II receptor (RABBIT)	BDBM50282281 (CHEMBL68618 | Pentanoic acid {2-butyl-3-[2'-(3-cyc...) Show SMILES CCCCC(=O)Nc1cnc2n(Cc3ccc(cc3)-c3ccccc3S(=O)(=O)NC(=O)CCC3CCCC3)c(CCCC)nc2c1 Show InChI InChI=1S/C36H45N5O4S/c1-3-5-15-33-39-31-23-29(38-34(42)16-6-4-2)24-37-36(31)41(33)25-27-17-20-28(21-18-27)30-13-9-10-14-32(30)46(44,45)40-35(43)22-19-26-11-7-8-12-26/h9-10,13-14,17-18,20-21,23-24,26H,3-8,11-12,15-16,19,22,25H2,1-2H3,(H,38,42)(H,40,43)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined by its ability to displace the specific binding ligand [125I]-Sar1, Ile8-AII from Angiotensin II receptor, type ...				Bioorg Med Chem Lett 4: 17-22 (1994) Article DOI: 10.1016/S0960-894X(01)81115-X BindingDB Entry DOI: 10.7270/Q2G73DPF
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