Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 497.6 BDBM280286

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))	BDBM280286 (US10029993, Example 64) Show SMILES OC1CCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)CN1CCN(CC1)c1nncc(n1)-c1ccc(F)cc1 |r,wU:7.7,wD:10.14,(17.05,2.21,;15.71,1.44,;15.71,-.1,;14.38,-.87,;13.05,-.1,;13.05,1.44,;14.38,2.21,;11.71,-.87,;11.71,-2.41,;10.38,-3.18,;9.04,-2.41,;9.04,-.87,;10.38,-.1,;7.71,-3.18,;6.38,-2.41,;6.38,-.87,;5.04,-3.18,;3.71,-2.41,;2.38,-3.18,;1.04,-2.41,;1.04,-.87,;2.38,-.1,;3.71,-.87,;-.29,-.1,;-.29,1.44,;-1.62,2.21,;-2.96,1.44,;-2.96,-.1,;-1.62,-.87,;-4.29,-.87,;-5.62,-.1,;-6.96,-.87,;-6.96,-2.41,;-8.29,-3.18,;-5.62,-3.18,;-4.29,-2.41,)| Show InChI InChI=1S/C26H36FN7O2/c27-20-3-1-19(2-4-20)24-17-28-31-26(30-24)34-15-13-32(14-16-34)18-25(36)29-21-5-7-22(8-6-21)33-11-9-23(35)10-12-33/h1-4,17,21-23,35H,5-16,18H2,(H,29,36)/t21-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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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