Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP4' and Ligand = 'BDBM50388318'   

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 FKBP4 (Homo sapiens (Human))	BDBM50388318 (CHEMBL2057227) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@H]2C)c2cccc(OCCN3CCOCC3)c2)cc1OC |r| Show InChI InChI=1S/C38H52N2O9/c1-27-9-4-6-17-38(27,44)35(41)36(42)40-18-7-5-12-31(40)37(43)49-32(15-13-28-14-16-33(45-2)34(25-28)46-3)29-10-8-11-30(26-29)48-24-21-39-19-22-47-23-20-39/h8,10-11,14,16,25-27,31-32,44H,4-7,9,12-13,15,17-24H2,1-3H3/t27-,31+,32-,38+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	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 FKBP52 FK1 domain by fluorescence polarization assay				J Med Chem 55: 4114-22 (2012) Article DOI: 10.1021/jm201746x BindingDB Entry DOI: 10.7270/Q2KS6SMP
					More data for this Ligand-Target Pair