BDBM50519832 CHEMBL4456831

SMILES: [H][C@@]12CCCC[C@@]1([H])C(=O)C[C@H](C)[C@H]2C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1

InChI Key: InChIKey=YWEYRIBKVNJTLW-GVEAIODXSA-N

Data: 1 KI

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 = 50519832   

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
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50519832 (CHEMBL4456831) Show SMILES [H][C@@]12CCCC[C@@]1([H])C(=O)C[C@H](C)[C@H]2C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C41H56N2O8/c1-28-25-35(44)32-11-4-5-12-33(32)39(28)40(45)43-18-7-6-13-34(43)41(46)51-36(16-14-29-15-17-37(47-2)38(26-29)48-3)30-9-8-10-31(27-30)50-24-21-42-19-22-49-23-20-42/h8-10,15,17,26-28,32-34,36,39H,4-7,11-14,16,18-25H2,1-3H3/t28-,32+,33+,34-,36+,39+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	330	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 Inhibition of human full length N-terminal His-tagged/C-terminal FLAG tagged FKBP51 expressed in Escherichia coli BL21 (DE3) cells incubated for 30 m...				J Med Chem 63: 231-240 (2020) Article DOI: 10.1021/acs.jmedchem.9b01157
					More data for this Ligand-Target Pair