null

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

InChI Key: InChIKey=DRRUHROUPHXCAT-RQNOJGIXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 107431   

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))	BDBM107431 (US8592431, 339) Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)OCC(O)(CF)CF)c2ncnn12 |r,wU:27.29,wD:30.36,(-7.16,1.78,;-5.82,2.55,;-4.49,1.78,;-3.16,2.55,;-1.82,1.78,;-1.82,.24,;-3.16,-.53,;-3.16,-2.07,;-4.49,-2.84,;-5.82,-2.07,;-5.82,-.53,;-4.49,.24,;-7.16,-2.84,;-8.49,-2.07,;-9.82,-2.84,;-9.82,-4.38,;-8.49,-5.15,;-7.16,-4.38,;-5.82,-5.15,;-5.82,-6.69,;-4.36,-7.17,;-3.59,-8.5,;-3.45,-5.92,;-4.36,-4.68,;-.49,2.55,;.85,1.78,;-.49,4.09,;.85,4.86,;.85,6.4,;2.18,7.17,;3.51,6.4,;3.51,4.86,;2.18,4.09,;4.85,7.17,;6.18,6.4,;7.51,7.17,;8.85,6.4,;8.28,8.5,;9.82,8.5,;6.74,8.5,;5.2,8.5,;-1.82,4.86,;-2.14,6.36,;-3.67,6.53,;-4.3,5.12,;-3.16,4.09,)| Show InChI InChI=1S/C33H36F2N6O5/c1-2-5-28-27(16-21-8-10-22(11-9-21)25-6-3-4-7-26(25)29-38-32(43)46-39-29)30(42)40(31-36-20-37-41(28)31)23-12-14-24(15-13-23)45-19-33(44,17-34)18-35/h3-4,6-11,20,23-24,44H,2,5,12-19H2,1H3,(H,38,39,43)/t23-,24-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	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