BDBM107462 US8592431, 437

SMILES: CCCc1c(Cc2ccc(cc2F)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CC[C@@H](CC2)OCC(C)O)c2ccnn12

InChI Key: InChIKey=FVRLNNYIBSGEGW-UQVLZSRQSA-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 = 107462   

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))	BDBM107462 (US8592431, 437) Show SMILES CCCc1c(Cc2ccc(cc2F)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CC[C@@H](CC2)OCC(C)O)c2ccnn12 |r,wD:31.37,(-6.67,1.67,;-5.33,2.44,;-4,1.67,;-2.67,2.44,;-1.33,1.67,;-1.33,.13,;-2.67,-.64,;-4,.13,;-5.33,-.64,;-5.33,-2.18,;-4,-2.95,;-2.67,-2.18,;-1.33,-2.95,;-6.67,-2.95,;-8,-2.18,;-9.34,-2.95,;-9.34,-4.49,;-8,-5.26,;-6.67,-4.49,;-5.33,-5.26,;-5.33,-6.8,;-3.87,-7.27,;-3.1,-8.6,;-2.96,-6.03,;-3.87,-4.78,;,2.44,;1.33,1.67,;,3.98,;1.33,4.75,;1.33,6.29,;2.67,7.06,;4,6.29,;4,4.75,;2.67,3.98,;5.33,7.06,;6.67,6.29,;8,7.06,;9.34,6.29,;8,8.6,;-1.33,4.75,;-1.65,6.26,;-3.19,6.42,;-3.81,5.02,;-2.67,3.98,)| Show InChI InChI=1S/C33H36FN5O5/c1-3-6-29-27(32(41)38(30-15-16-35-39(29)30)23-11-13-24(14-12-23)43-19-20(2)40)17-22-10-9-21(18-28(22)34)25-7-4-5-8-26(25)31-36-33(42)44-37-31/h4-5,7-10,15-16,18,20,23-24,40H,3,6,11-14,17,19H2,1-2H3,(H,36,37,42)/t20?,23?,24-	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