Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50565509'   

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))	BDBM50565509 (CHEMBL4790993) Show SMILES C[C@H]1C[C@H](C)C(=O)C(C1)[C@H](O)CC1CC(=O)N(CC(=O)NC2C3CC4(C)CC2CC(C)(C3)C4)C(=O)C1 |r,wU:1.0,wD:3.3,9.10,TLB:25:24:21:28.31.29,30:29:21:23.24.26,20:21:28.31.29:23.24.26,20:21:26:28.29.32,31:29:21.22.23:26,THB:32:29:21:23.24.26,32:24:21:28.31.29,31:22:26:28.29.32,(-6.82,-3.14,;-6.82,-1.6,;-8.15,-.83,;-8.15,.71,;-9.49,1.48,;-6.82,1.49,;-6.82,3.03,;-5.49,.71,;-5.49,-.83,;-4.15,1.48,;-4.15,3.02,;-2.82,.71,;-1.49,1.48,;-1.49,3.02,;-.15,3.8,;-.15,5.34,;1.18,3.02,;2.52,3.79,;3.85,3.02,;3.85,1.48,;5.18,3.79,;6.52,3.02,;8.01,2.64,;8.8,4.01,;10.3,4.55,;11.07,5.88,;8.91,4.81,;8.18,3.53,;9.08,2.46,;10.44,2.06,;11.45,.89,;8.94,1.47,;11.21,3.37,;1.18,1.48,;2.52,.71,;-.15,.71,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FKBP12 assessed as reduction in PPIase activity using succinyl-Ala-Leu-Pro-Phe-4-nitroanilide as substrate incubated for 4 mins b...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00911 BindingDB Entry DOI: 10.7270/Q22V2KW9
					More data for this Ligand-Target Pair