Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 456.5 BDBM280332

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))	BDBM280332 (US10029993, Example 252) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)C(O)C1CCN(CC1)c1nncc(n1)-c1ccc(F)cc1 |r,wU:3.2,wD:6.9,(10.03,-3.02,;10.03,-4.56,;11.36,-5.33,;8.69,-5.33,;8.69,-6.87,;7.36,-7.64,;6.03,-6.87,;6.03,-5.33,;7.36,-4.56,;4.69,-7.64,;3.36,-6.87,;3.36,-5.33,;2.02,-7.64,;2.02,-9.18,;.69,-6.87,;-.64,-7.64,;-1.98,-6.87,;-1.98,-5.33,;-.64,-4.56,;.69,-5.33,;-3.31,-4.56,;-3.31,-3.02,;-4.64,-2.25,;-5.98,-3.02,;-5.98,-4.56,;-4.64,-5.33,;-7.31,-5.33,;-8.64,-4.56,;-9.98,-5.33,;-9.98,-6.87,;-11.31,-7.64,;-8.64,-7.64,;-7.31,-6.87,)| Show InChI InChI=1S/C24H33FN6O2/c1-30(2)20-9-7-19(8-10-20)27-23(33)22(32)17-11-13-31(14-12-17)24-28-21(15-26-29-24)16-3-5-18(25)6-4-16/h3-6,15,17,19-20,22,32H,7-14H2,1-2H3,(H,27,33)/t19-,20-,22?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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
					More data for this Ligand-Target Pair