BDBM107368 US8592431, 169

SMILES: CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)c2nc(C)no2)c2ncnn12

InChI Key: InChIKey=JHAFXTJFNTXOKT-YHBQERECSA-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 = 107368   

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))	BDBM107368 (US8592431, 169) Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)c2nc(C)no2)c2ncnn12 |r,wU:27.29,wD:30.36,(-6.62,1.44,;-5.29,2.21,;-3.96,1.44,;-2.62,2.21,;-1.29,1.44,;-1.29,-.1,;-2.62,-.87,;-2.62,-2.41,;-3.96,-3.18,;-5.29,-2.41,;-5.29,-.87,;-3.96,-.1,;-6.62,-3.18,;-7.96,-2.41,;-9.29,-3.18,;-9.29,-4.72,;-7.96,-5.49,;-6.62,-4.72,;-5.29,-5.49,;-5.29,-7.03,;-3.82,-7.51,;-3.05,-8.84,;-2.92,-6.26,;-3.82,-5.02,;.05,2.21,;1.38,1.44,;.05,3.75,;1.38,4.52,;1.38,6.06,;2.71,6.83,;4.05,6.06,;4.05,4.52,;2.71,3.75,;5.38,6.83,;6.84,6.35,;7.75,7.6,;9.29,7.6,;6.84,8.84,;5.38,8.37,;-1.29,4.52,;-1.61,6.02,;-3.14,6.18,;-3.77,4.78,;-2.62,3.75,)| Show InChI InChI=1S/C32H32N8O4/c1-3-6-27-26(17-20-9-11-21(12-10-20)24-7-4-5-8-25(24)28-36-32(42)44-38-28)30(41)39(31-33-18-34-40(27)31)23-15-13-22(14-16-23)29-35-19(2)37-43-29/h4-5,7-12,18,22-23H,3,6,13-17H2,1-2H3,(H,36,38,42)/t22-,23-	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