BDBM107364 US8592431, 264

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

InChI Key: InChIKey=IMWLJNKUDMXADB-YHBQERECSA-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 = 107364   

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))	BDBM107364 (US8592431, 264) Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)OCCO)c2ncnn12 |r,wU:27.29,wD:30.36,(-6.67,2.44,;-5.33,3.21,;-4,2.44,;-2.67,3.21,;-1.33,2.44,;-1.33,.9,;-2.67,.13,;-2.67,-1.41,;-4,-2.18,;-5.33,-1.41,;-5.33,.13,;-4,.9,;-6.67,-2.18,;-8,-1.41,;-9.34,-2.18,;-9.34,-3.72,;-8,-4.49,;-6.67,-3.72,;-5.33,-4.49,;-5.33,-6.03,;-3.87,-6.5,;-3.1,-7.83,;-2.96,-5.26,;-3.87,-4.01,;,3.21,;1.33,2.44,;,4.75,;1.33,5.52,;1.33,7.06,;2.67,7.83,;4,7.06,;4,5.52,;2.67,4.75,;5.33,7.83,;6.67,7.06,;8,7.83,;9.34,7.06,;-1.33,5.52,;-1.65,7.03,;-3.19,7.19,;-3.81,5.79,;-2.67,4.75,)| Show InChI InChI=1S/C31H34N6O5/c1-2-5-27-26(29(39)36(30-32-19-33-37(27)30)22-12-14-23(15-13-22)41-17-16-38)18-20-8-10-21(11-9-20)24-6-3-4-7-25(24)28-34-31(40)42-35-28/h3-4,6-11,19,22-23,38H,2,5,12-18H2,1H3,(H,34,35,40)/t22-,23-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	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