Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor' and Ligand = 'BDBM50283178'   

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 (Homo sapiens (Human))	BDBM50283178 (5-[(Benzyl-butyl-amino)-methyl]-2-propyl-3-[2'-(1H...) Show SMILES CCCCN(Cc1nc(CCC)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c1C(O)=O)Cc1ccccc1 Show InChI InChI=1S/C33H37N7O2/c1-3-5-20-39(21-24-12-7-6-8-13-24)23-29-31(33(41)42)40(30(34-29)11-4-2)22-25-16-18-26(19-17-25)27-14-9-10-15-28(27)32-35-37-38-36-32/h6-10,12-19H,3-5,11,20-23H2,1-2H3,(H,41,42)(H,35,36,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against Angiotensin II receptor, type 1				Bioorg Med Chem Lett 4: 2229-2234 (1994) Article DOI: 10.1016/S0960-894X(00)80076-1 BindingDB Entry DOI: 10.7270/Q2JQ110M
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