null

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

InChI Key: InChIKey=JLCDCOUXLFRCQU-MXPCIROKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 107390   

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 (Homo sapiens (Human))	BDBM107390 (US8592431, 216) Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)OC\C(C)=N\OC)c2ncnn12 |r,wU:27.29,wD:30.36,(-8,1.67,;-6.67,2.44,;-5.33,1.67,;-4,2.44,;-2.67,1.67,;-2.67,.13,;-4,-.64,;-4,-2.18,;-5.33,-2.95,;-6.67,-2.18,;-6.67,-.64,;-5.33,.13,;-8,-2.95,;-9.34,-2.18,;-10.67,-2.95,;-10.67,-4.49,;-9.34,-5.26,;-8,-4.49,;-6.67,-5.26,;-6.67,-6.8,;-5.2,-7.27,;-4.43,-8.6,;-4.3,-6.03,;-5.2,-4.78,;-1.33,2.44,;,1.67,;-1.33,3.98,;,4.75,;,6.29,;1.33,7.06,;2.67,6.29,;2.67,4.75,;1.33,3.98,;4,7.06,;5.33,6.29,;6.67,7.06,;6.67,8.6,;8,6.29,;9.34,7.06,;10.67,6.29,;-2.67,4.75,;-2.99,6.26,;-4.52,6.42,;-5.15,5.02,;-4,3.98,)| Show InChI InChI=1S/C33H37N7O5/c1-4-7-29-28(18-22-10-12-23(13-11-22)26-8-5-6-9-27(26)30-36-33(42)45-38-30)31(41)39(32-34-20-35-40(29)32)24-14-16-25(17-15-24)44-19-21(2)37-43-3/h5-6,8-13,20,24-25H,4,7,14-19H2,1-3H3,(H,36,38,42)/b37-21+/t24-,25-	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