BDBM47107 US8592431, 155

SMILES: CCCc1c(Cc2ccc(c(C)c2)-c2ccccc2-c2noc(=O)[nH]2)c(=O)n(C2CCC(CC2)OCC(C)(C)O)c2nc(C)nn12

InChI Key: InChIKey=KLXVVRHFJMDUDX-UHFFFAOYSA-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 = 47107   

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))	BDBM47107 (US8592431, 155) Show SMILES CCCc1c(Cc2ccc(c(C)c2)-c2ccccc2-c2noc(=O)[nH]2)c(=O)n(C2CCC(CC2)OCC(C)(C)O)c2nc(C)nn12 |(-4.24,2.37,;-2.67,3.21,;-1.33,2.44,;,3.21,;1.33,2.44,;1.33,.9,;,.13,;,-1.41,;-1.33,-2.18,;-2.67,-1.41,;-2.67,.13,;-4,.9,;-1.33,.9,;-4,-2.18,;-5.33,-1.41,;-6.67,-2.18,;-6.67,-3.72,;-5.33,-4.49,;-4,-3.72,;-2.67,-4.49,;-1.2,-4.01,;-.3,-5.26,;-1.2,-6.5,;-.43,-7.83,;-2.67,-6.03,;2.67,3.21,;4,2.44,;2.67,4.75,;4,5.52,;4,7.06,;5.33,7.83,;6.67,7.06,;6.67,5.52,;5.33,4.75,;8,7.83,;8,9.37,;9.34,10.14,;10.42,9.06,;10.88,10.14,;9.34,11.68,;1.33,5.52,;1.01,7.03,;-.52,7.19,;-1.29,8.53,;-1.14,5.79,;,4.75,)| Show InChI InChI=1S/C35H42N6O5/c1-6-9-30-29(19-23-12-17-26(21(2)18-23)27-10-7-8-11-28(27)31-37-34(43)46-39-31)32(42)40(33-36-22(3)38-41(30)33)24-13-15-25(16-14-24)45-20-35(4,5)44/h7-8,10-12,17-18,24-25,44H,6,9,13-16,19-20H2,1-5H3,(H,37,39,43)	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	n/a	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