BDBM107381 US8592431, 191

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

InChI Key: InChIKey=LBEIHDOAHGDOFH-SILNSSARSA-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 = 107381   

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))	BDBM107381 (US8592431, 191) Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCC(CC2)=CCO)c2ncnn12 |(-6,2.44,;-4.67,3.21,;-3.33,2.44,;-2,3.21,;-.67,2.44,;-.67,.9,;-2,.13,;-2,-1.41,;-3.33,-2.18,;-4.67,-1.41,;-4.67,.13,;-3.33,.9,;-6,-2.18,;-7.34,-1.41,;-8.67,-2.18,;-8.67,-3.72,;-7.34,-4.49,;-6,-3.72,;-4.67,-4.49,;-4.67,-6.03,;-3.2,-6.5,;-2.43,-7.83,;-2.3,-5.26,;-3.2,-4.01,;.67,3.21,;2,2.44,;.67,4.75,;2,5.52,;3.33,4.75,;4.67,5.52,;4.67,7.06,;3.33,7.83,;2,7.06,;6,7.83,;7.34,7.06,;8.67,7.83,;-.67,5.52,;-.99,7.03,;-2.52,7.19,;-3.14,5.79,;-2,4.75,)| Show InChI InChI=1S/C31H32N6O4/c1-2-5-27-26(29(39)36(30-32-19-33-37(27)30)23-14-10-20(11-15-23)16-17-38)18-21-8-12-22(13-9-21)24-6-3-4-7-25(24)28-34-31(40)41-35-28/h3-4,6-9,12-13,16,19,23,38H,2,5,10-11,14-15,17-18H2,1H3,(H,34,35,40)/b20-16-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60	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