BDBM107445 US8592431, 376

SMILES: CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCC(CC2)C(C)(C)O)c2ncnn12

InChI Key: InChIKey=HXWAPTSLHXUNKA-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 107445   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetyl-coenzyme A transporter 1 (AT1) (Homo sapiens (Human))	BDBM107445 (US8592431, 376) Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCC(CC2)C(C)(C)O)c2ncnn12 |(-5.33,1.78,;-4,2.55,;-2.67,1.78,;-1.33,2.55,;,1.78,;,.24,;-1.33,-.53,;-2.67,.24,;-4,-.53,;-4,-2.07,;-2.67,-2.84,;-1.33,-2.07,;-5.33,-2.84,;-6.67,-2.07,;-8,-2.84,;-8,-4.38,;-6.67,-5.15,;-5.33,-4.38,;-4,-5.15,;-4,-6.69,;-2.54,-7.17,;-1.77,-8.5,;-1.63,-5.92,;-2.54,-4.68,;1.33,2.55,;2.67,1.78,;1.33,4.09,;2.67,4.86,;4,4.09,;5.33,4.86,;5.33,6.4,;4,7.17,;2.67,6.4,;6.67,7.17,;5.9,8.5,;7.44,8.5,;8,6.4,;,4.86,;-.32,6.36,;-1.85,6.53,;-2.48,5.12,;-1.33,4.09,)| Show InChI InChI=1S/C32H36N6O4/c1-4-7-27-26(29(39)37(30-33-19-34-38(27)30)23-16-14-22(15-17-23)32(2,3)41)18-20-10-12-21(13-11-20)24-8-5-6-9-25(24)28-35-31(40)42-36-28/h5-6,8-13,19,22-23,41H,4,7,14-18H2,1-3H3,(H,35,36,40)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair