Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50408110'   

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))	BDBM50408110 (CHEMBL293284) Show SMILES CC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C25H32N2O4/c1-25(2,3)18-26-24(29)27-15-8-7-14-22(27)23(28)30-17-19-10-9-13-21(16-19)31-20-11-5-4-6-12-20/h4-6,9-13,16,22H,7-8,14-15,17-18H2,1-3H3,(H,26,29)/t22-/m0/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	220	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