Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 424.5 BDBM280267

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM280267 (US10029993, Example 12) Show SMILES Cc1ccccc1-c1cnnc(n1)N1CCN(CC(=O)NC2CC[C@@](C)(O)CC2)CC1 |r,wU:24.26,wD:24.27,(-5.63,1.44,;-5.63,-.1,;-6.96,-.87,;-6.96,-2.41,;-5.63,-3.18,;-4.29,-2.41,;-4.29,-.87,;-2.96,-.1,;-2.96,1.44,;-1.63,2.21,;-.29,1.44,;-.29,-.1,;-1.63,-.87,;1.04,-.87,;1.04,-2.41,;2.38,-3.18,;3.71,-2.41,;5.04,-3.18,;6.38,-2.41,;6.38,-.87,;7.71,-3.18,;9.04,-2.41,;10.38,-3.18,;11.71,-2.41,;11.71,-.87,;13.05,-.1,;13.05,-1.64,;10.38,-.1,;9.04,-.87,;3.71,-.87,;2.38,-.1,)| Show InChI InChI=1S/C23H32N6O2/c1-17-5-3-4-6-19(17)20-15-24-27-22(26-20)29-13-11-28(12-14-29)16-21(30)25-18-7-9-23(2,31)10-8-18/h3-6,15,18,31H,7-14,16H2,1-2H3,(H,25,30)/t18?,23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	7.4	25
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing huma...				US Patent US10029993 (2018) BindingDB Entry DOI: 10.7270/Q2V40X6M
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