BDBM50432750 CHEMBL2348610

SMILES: COc1ccc(OCCN2CC3CCCC(N3C(=O)C(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1OC

InChI Key: InChIKey=PLKKCLVMJKZZQP-UHFFFAOYSA-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 = 50432750   

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))	BDBM50432750 (CHEMBL2348610) Show SMILES COc1ccc(OCCN2CC3CCCC(N3C(=O)C(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1OC |TLB:8:9:16:12.13.14,THB:34:33:16:12.13.14| Show InChI InChI=1S/C28H34N2O9/c1-34-21-10-9-19(15-22(21)35-2)39-12-11-29-16-18-7-6-8-20(27(29)32)30(18)28(33)25(31)17-13-23(36-3)26(38-5)24(14-17)37-4/h9-10,13-15,18,20H,6-8,11-12,16H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to human FKBP51 by competitive fluorescence polarization assay				J Med Chem 56: 3922-35 (2013) Article DOI: 10.1021/jm400087k BindingDB Entry DOI: 10.7270/Q2QZ2CC1
					More data for this Ligand-Target Pair