BDBM107357 US8592431, 151

SMILES: CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@]3(CCCO3)CC2)c2ncnn12

InChI Key: InChIKey=KLSYBFRVMYPCCY-FVQXVRMNSA-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 = 107357   

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))	BDBM107357 (US8592431, 151) Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@]3(CCCO3)CC2)c2ncnn12 |r,wU:27.29,wD:30.37,(-5.19,1.82,;-3.85,2.59,;-2.52,1.82,;-1.18,2.59,;.15,1.82,;.15,.28,;-1.18,-.49,;-1.18,-2.03,;-2.52,-2.8,;-3.85,-2.03,;-3.85,-.49,;-2.52,.28,;-5.19,-2.8,;-6.52,-2.03,;-7.85,-2.8,;-7.85,-4.34,;-6.52,-5.11,;-5.19,-4.34,;-3.85,-5.11,;-3.85,-6.65,;-2.39,-7.12,;-1.62,-8.46,;-1.48,-5.88,;-2.39,-4.63,;1.48,2.59,;2.82,1.82,;1.48,4.13,;2.82,4.9,;2.82,6.44,;4.15,7.21,;5.48,6.44,;6.95,5.97,;7.85,7.21,;6.95,8.46,;5.48,7.98,;5.48,4.9,;4.15,4.13,;.15,4.9,;-.17,6.41,;-1.7,6.57,;-2.33,5.16,;-1.18,4.13,)| Show InChI InChI=1S/C32H34N6O4/c1-2-6-27-26(19-21-9-11-22(12-10-21)24-7-3-4-8-25(24)28-35-31(40)42-36-28)29(39)37(30-33-20-34-38(27)30)23-13-16-32(17-14-23)15-5-18-41-32/h3-4,7-12,20,23H,2,5-6,13-19H2,1H3,(H,35,36,40)/t23-,32-	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