Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 505.6 BDBM50162674

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
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50162674 (CHEMBL3792647) Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C26H39N3O7/c1-34-20-13-17(14-21(35-2)23(20)36-3)22(16-9-5-4-6-10-16)26(33)29-12-8-7-11-19(29)25(32)28-18(15-30)24(27)31/h13-14,16,18-19,22,30H,4-12,15H2,1-3H3,(H2,27,31)(H,28,32)/t18-,19-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.29E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...				J Med Chem 59: 2410-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01355 BindingDB Entry DOI: 10.7270/Q2BZ67Z3
					More data for this Ligand-Target Pair