null

SMILES: CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)OCC(C)(C)O)c2ccnn12

InChI Key: InChIKey=NGAMDPDNJSGZLR-SOAUALDESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 107454   

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))	BDBM107454 (US8592431, 413) Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)OCC(C)(C)O)c2ccnn12 |r,wU:27.29,wD:30.36,(-5.33,4.09,;-5.33,2.55,;-4,1.78,;-2.67,2.55,;-1.33,1.78,;-1.33,.24,;-2.67,-.53,;-4,.24,;-5.33,-.53,;-5.33,-2.07,;-4,-2.84,;-2.67,-2.07,;-6.67,-2.84,;-8,-2.07,;-9.34,-2.84,;-9.34,-4.38,;-8,-5.15,;-6.67,-4.38,;-5.33,-5.15,;-5.33,-6.69,;-3.87,-7.17,;-3.1,-8.5,;-2.96,-5.92,;-3.87,-4.68,;,2.55,;1.33,1.78,;,4.09,;1.33,4.86,;1.33,6.4,;2.67,7.17,;4,6.4,;4,4.86,;2.67,4.09,;5.33,7.17,;6.67,6.4,;8,7.17,;7.28,8.53,;8.72,8.53,;9.34,6.4,;-1.33,4.86,;-1.65,6.36,;-3.19,6.53,;-3.81,5.12,;-2.67,4.09,)| Show InChI InChI=1S/C34H39N5O5/c1-4-7-29-28(20-22-10-12-23(13-11-22)26-8-5-6-9-27(26)31-36-33(41)44-37-31)32(40)38(30-18-19-35-39(29)30)24-14-16-25(17-15-24)43-21-34(2,3)42/h5-6,8-13,18-19,24-25,42H,4,7,14-17,20-21H2,1-3H3,(H,36,37,41)/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