Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50408108'   

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))	BDBM50408108 (CHEMBL299276) Show SMILES CCCN1CC[C@@H]2CCC[C@H](N2C1=O)C(=O)OC Show InChI InChI=1S/C13H22N2O3/c1-3-8-14-9-7-10-5-4-6-11(12(16)18-2)15(10)13(14)17/h10-11H,3-9H2,1-2H3/t10-,11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12				J Med Chem 39: 1872-84 (1996) Article DOI: 10.1021/jm950798a BindingDB Entry DOI: 10.7270/Q2CZ38C2
					More data for this Ligand-Target Pair