Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50288765'   

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 FKBP1A (Homo sapiens (Human))	BDBM50288765 ((1S,9R)-5-(tert-Butyl-dimethyl-silanyloxymethyl)-1...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCC(CO[Si](C)(C)C(C)(C)C)COC2=O Show InChI InChI=1S/C28H41NO10Si/c1-28(2,3)40(7,8)39-16-17-14-37-26(32)19-10-9-11-20(27(33)38-15-17)29(19)25(31)23(30)18-12-21(34-4)24(36-6)22(13-18)35-5/h12-13,17,19-20H,9-11,14-16H2,1-8H3/t17?,19-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase				Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ
					More data for this Ligand-Target Pair