BDBM50432748 CHEMBL2348587

SMILES: COc1ccc(OCCN2CC3CCCC(N3S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2=O)cc1OC

InChI Key: InChIKey=LIXIEDIWENPAEO-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 = 50432748   

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))	BDBM50432748 (CHEMBL2348587) Show SMILES COc1ccc(OCCN2CC3CCCC(N3S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2=O)cc1OC |TLB:8:9:16:12.13.14,THB:29:28:16:12.13.14| Show InChI InChI=1S/C23H26Cl2N2O6S/c1-31-21-7-6-18(13-22(21)32-2)33-9-8-26-14-17-4-3-5-20(23(26)28)27(17)34(29,30)19-11-15(24)10-16(25)12-19/h6-7,10-13,17,20H,3-5,8-9,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	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
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